5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide

C16H20N6O2 — CID 124567981

IUPAC5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)C[C@H]1n1ccnc1
InChIInChI=1S/C16H20N6O2/c1-11-4-6-21(9-14(11)22-7-5-18-10-22)16(24)20-12-2-3-13(15(17)23)19-8-12/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3,(H2,17,23)(H,20,24)/t11-,14+/m0/s1
InChIKeyYVZFGBRBWSMGFY-SMDDNHRTSA-N
MW328.38 g/mol
LogP1.49
Rot. Bonds3

About 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide

5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 124567981) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID124567981
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)C[C@H]1n1ccnc1
InChIInChI=1S/C16H20N6O2/c1-11-4-6-21(9-14(11)22-7-5-18-10-22)16(24)20-12-2-3-13(15(17)23)19-8-12/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3,(H2,17,23)(H,20,24)/t11-,14+/m0/s1
InChIKeyYVZFGBRBWSMGFY-SMDDNHRTSA-N
XLogP1.49
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615103
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024367
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381
(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124875203
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 136514717
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide (CID 124567981) is 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide is C[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)nc2)C[C@H]1n1ccnc1.
What is the InChIKey of 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is YVZFGBRBWSMGFY-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-4-6-21(9-14(11)22-7-5-18-10-22)16(24)20-12-2-3-13(15(17)23)19-8-12/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3,(H2,17,23)(H,20,24)/t11-,14+/m0/s1.
What are the key properties of 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide?
5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 124567981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).