5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C19H26N4O3 — CID 164752609

IUPAC5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@@H]2C2CCCCC2)c1
InChIInChI=1S/C19H26N4O3/c20-17(24)14-10-15(12-21-11-14)22-18(25)19(26)23-9-5-4-8-16(23)13-6-2-1-3-7-13/h10-13,16H,1-9H2,(H2,20,24)(H,22,25)/t16-/m1/s1
InChIKeyOMDLXONCXUBZOT-MRXNPFEDSA-N
MW358.44 g/mol
LogP2.08
Rot. Bonds3

About 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164752609) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID164752609
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@@H]2C2CCCCC2)c1
InChIInChI=1S/C19H26N4O3/c20-17(24)14-10-15(12-21-11-14)22-18(25)19(26)23-9-5-4-8-16(23)13-6-2-1-3-7-13/h10-13,16H,1-9H2,(H2,20,24)(H,22,25)/t16-/m1/s1
InChIKeyOMDLXONCXUBZOT-MRXNPFEDSA-N
XLogP2.08
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078
5-[[2-[(2S)-2-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 174003124
5-[[2-[(2S,5R)-2-[(1S,3R)-3-hydroxycyclohexyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753163
5-[[2-oxo-2-[(2R)-2-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033649
5-[[2-[2-(3-chloro-5-fluorophenyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033060
5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033299
5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033243
5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167598546
5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075
5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033519
5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033170
5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750550

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164752609) is 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@@H]2C2CCCCC2)c1.
What is the InChIKey of 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is OMDLXONCXUBZOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-17(24)14-10-15(12-21-11-14)22-18(25)19(26)23-9-5-4-8-16(23)13-6-2-1-3-7-13/h10-13,16H,1-9H2,(H2,20,24)(H,22,25)/t16-/m1/s1.
What are the key properties of 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164752609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).