5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

C22H26N6O5 — CID 164750422

IUPAC5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC(C)=O)nc2)cc1C(N)=O
InChIInChI=1S/C22H26N6O5/c1-12-4-6-17(14-5-7-18(24-9-14)26-13(2)29)28(11-12)22(32)20(31)27-15-8-16(19(23)30)21(33-3)25-10-15/h5,7-10,12,17H,4,6,11H2,1-3H3,(H2,23,30)(H,27,31)(H,24,26,29)/t12-,17+/m1/s1
InChIKeyHADPFTATUICMQU-PXAZEXFGSA-N
MW454.49 g/mol
LogP1.48
Rot. Bonds5

About 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (PubChem CID 164750422) has the molecular formula C22H26N6O5 and a molecular weight of 454.49 g/mol. Its IUPAC name is 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
PubChem CID164750422
Molecular FormulaC22H26N6O5
Molecular Weight454.49 g/mol
Exact Mass454.20
IUPAC Name5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC(C)=O)nc2)cc1C(N)=O
InChIInChI=1S/C22H26N6O5/c1-12-4-6-17(14-5-7-18(24-9-14)26-13(2)29)28(11-12)22(32)20(31)27-15-8-16(19(23)30)21(33-3)25-10-15/h5,7-10,12,17H,4,6,11H2,1-3H3,(H2,23,30)(H,27,31)(H,24,26,29)/t12-,17+/m1/s1
InChIKeyHADPFTATUICMQU-PXAZEXFGSA-N
XLogP1.48
TPSA156.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-methoxy-5-[[2-[(5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034018
5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164752908
5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164751460
2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022662
2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033457
5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164753557
2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[5-(methylcarbamoyl)thiophen-2-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750267
5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167600347
2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750093
5-[[2-[(2R,5S)-2-[2-[(3R,5R)-1,5-dimethylpiperidin-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 170084672
5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164750789
2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750095

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (CID 164750422) is 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC(C)=O)nc2)cc1C(N)=O.
What is the InChIKey of 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is HADPFTATUICMQU-PXAZEXFGSA-N. The full InChI is InChI=1S/C22H26N6O5/c1-12-4-6-17(14-5-7-18(24-9-14)26-13(2)29)28(11-12)22(32)20(31)27-15-8-16(19(23)30)21(33-3)25-10-15/h5,7-10,12,17H,4,6,11H2,1-3H3,(H2,23,30)(H,27,31)(H,24,26,29)/t12-,17+/m1/s1.
What are the key properties of 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 164750422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).