2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane

C121H174N24O25 — CID 165051710

IUPAC2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane
SMILESC.CC1CCC(C2CCCC2)NC1.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O
InChIInChI=1S/5C20H28N4O4.C11H21N.C9H9N3O5.CH4/c5*1-12-7-8-16(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-15(17(21)25)19(28-2)22-10-14;1-9-6-7-11(12-8-9)10-4-2-3-5-10;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;/h5*9-10,12-13,16H,3-8,11H2,1-2H3,(H2,21,25)(H,23,26);9-12H,2-8H2,1H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16);1H4/t2*12-,16+;2*12-,16-;;;;/m1010..../s1
InChIKeyPTNISUROLACIPL-WBUXFHSOSA-N
MW2364.87 g/mol
LogP12.14
Rot. Bonds24

About 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane (PubChem CID 165051710) has the molecular formula C121H174N24O25 and a molecular weight of 2364.87 g/mol. Its IUPAC name is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane.

Molecular Properties

Compound Name2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane
PubChem CID165051710
Molecular FormulaC121H174N24O25
Molecular Weight2364.87 g/mol
Exact Mass2363.31
IUPAC Name2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane
SMILESC.CC1CCC(C2CCCC2)NC1.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O
InChIInChI=1S/5C20H28N4O4.C11H21N.C9H9N3O5.CH4/c5*1-12-7-8-16(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-15(17(21)25)19(28-2)22-10-14;1-9-6-7-11(12-8-9)10-4-2-3-5-10;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;/h5*9-10,12-13,16H,3-8,11H2,1-2H3,(H2,21,25)(H,23,26);9-12H,2-8H2,1H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16);1H4/t2*12-,16+;2*12-,16-;;;;/m1010..../s1
InChIKeyPTNISUROLACIPL-WBUXFHSOSA-N
XLogP12.14
TPSA716.74 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.87
LogP ≤ 512.14
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane?
The IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane (CID 165051710) is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane.
What is the SMILES notation for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane?
The canonical SMILES for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane is C.CC1CCC(C2CCCC2)NC1.COc1ncc(NC(=O)C(=O)N2CC(C)CCC2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O.
What is the InChIKey of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane?
The InChIKey is PTNISUROLACIPL-WBUXFHSOSA-N. The full InChI is InChI=1S/5C20H28N4O4.C11H21N.C9H9N3O5.CH4/c5*1-12-7-8-16(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-15(17(21)25)19(28-2)22-10-14;1-9-6-7-11(12-8-9)10-4-2-3-5-10;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16;/h5*9-10,12-13,16H,3-8,11H2,1-2H3,(H2,21,25)(H,23,26);9-12H,2-8H2,1H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16);1H4/t2*12-,16+;2*12-,16-;;;;/m1010..../s1.
What are the key properties of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane?
2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane has a molecular weight of 2364.87 g/mol, XLogP of 12.14, 24 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-cyclopentyl-5-methylpiperidine;5-[[2-(2-cyclopentyl-5-methylpiperidin-1-yl)-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;methane is sourced from PubChem (CID 165051710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).