2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C63H74N12O10 — CID 165015693

IUPAC2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCC1CNC(c2ccccc2)CC1C.C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C[C@@H]1C.C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C[C@H]1C.NC(=O)c1cncc(NC(=O)C(=O)O)c1
InChIInChI=1S/2C21H24N4O3.C13H19N.C8H7N3O4/c2*1-13-8-18(15-6-4-3-5-7-15)25(12-14(13)2)21(28)20(27)24-17-9-16(19(22)26)10-23-11-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h2*3-7,9-11,13-14,18H,8,12H2,1-2H3,(H2,22,26)(H,24,27);3-7,10-11,13-14H,8-9H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t13-,14+,18-;13-,14-,18-;;/m11../s1
InChIKeyKJQBCLXWDMFZMA-PMKZFJDISA-N
MW1159.36 g/mol
LogP6.93
Rot. Bonds9

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 165015693) has the molecular formula C63H74N12O10 and a molecular weight of 1159.36 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID165015693
Molecular FormulaC63H74N12O10
Molecular Weight1159.36 g/mol
Exact Mass1158.57
IUPAC Name2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCC1CNC(c2ccccc2)CC1C.C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C[C@@H]1C.C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C[C@H]1C.NC(=O)c1cncc(NC(=O)C(=O)O)c1
InChIInChI=1S/2C21H24N4O3.C13H19N.C8H7N3O4/c2*1-13-8-18(15-6-4-3-5-7-15)25(12-14(13)2)21(28)20(27)24-17-9-16(19(22)26)10-23-11-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h2*3-7,9-11,13-14,18H,8,12H2,1-2H3,(H2,22,26)(H,24,27);3-7,10-11,13-14H,8-9H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t13-,14+,18-;13-,14-,18-;;/m11../s1
InChIKeyKJQBCLXWDMFZMA-PMKZFJDISA-N
XLogP6.93
TPSA345.19 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001159.36
LogP ≤ 56.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 165015693) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CC1CNC(c2ccccc2)CC1C.C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C[C@@H]1C.C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C[C@H]1C.NC(=O)c1cncc(NC(=O)C(=O)O)c1.
What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is KJQBCLXWDMFZMA-PMKZFJDISA-N. The full InChI is InChI=1S/2C21H24N4O3.C13H19N.C8H7N3O4/c2*1-13-8-18(15-6-4-3-5-7-15)25(12-14(13)2)21(28)20(27)24-17-9-16(19(22)26)10-23-11-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h2*3-7,9-11,13-14,18H,8,12H2,1-2H3,(H2,22,26)(H,24,27);3-7,10-11,13-14H,8-9H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t13-,14+,18-;13-,14-,18-;;/m11../s1.
What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 1159.36 g/mol, XLogP of 6.93, 9 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 165015693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).