N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide

C18H23N5O4 — CID 157014672

IUPACN-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@@H]1O)c1cccc(=O)[nH]1
InChIInChI=1S/C18H23N5O4/c24-15-11-12(17(26)19-8-10-23-9-2-7-20-23)5-6-13(15)22-18(27)14-3-1-4-16(25)21-14/h1-4,7,9,12-13,15,24H,5-6,8,10-11H2,(H,19,26)(H,21,25)(H,22,27)/t12-,13-,15-/m0/s1
InChIKeyMUAQOMUNMQGZID-YDHLFZDLSA-N
MW373.41 g/mol
LogP-0.35
Rot. Bonds6

About N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 157014672) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID157014672
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@@H]1O)c1cccc(=O)[nH]1
InChIInChI=1S/C18H23N5O4/c24-15-11-12(17(26)19-8-10-23-9-2-7-20-23)5-6-13(15)22-18(27)14-3-1-4-16(25)21-14/h1-4,7,9,12-13,15,24H,5-6,8,10-11H2,(H,19,26)(H,21,25)(H,22,27)/t12-,13-,15-/m0/s1
InChIKeyMUAQOMUNMQGZID-YDHLFZDLSA-N
XLogP-0.35
TPSA129.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
CID 162632981
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-(3-pyrazol-1-ylpropylcarbamoyl)cyclohexyl]benzamide
CID 155909946
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
(1S,3S,4S)-3-hydroxy-4-(3-pyrazol-1-ylpropanoylamino)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 155912192
5-(methoxymethyl)-N-[(1R,3S)-3-(2-pyrazol-1-ylethylcarbamoyl)cyclopentyl]furan-2-carboxamide
CID 70709236
(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
CID 157015089
(1S,3R,4R)-4-hydroxy-N-[2-(3-methyl-2-pyridinyl)ethyl]-3-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxamide
CID 162629062
(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
CID 157019447
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
N-[(1S,2S,4S)-2-hydroxy-4-[3-(triazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 157013196

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide (CID 157014672) is N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(N[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@@H]1O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is MUAQOMUNMQGZID-YDHLFZDLSA-N. The full InChI is InChI=1S/C18H23N5O4/c24-15-11-12(17(26)19-8-10-23-9-2-7-20-23)5-6-13(15)22-18(27)14-3-1-4-16(25)21-14/h1-4,7,9,12-13,15,24H,5-6,8,10-11H2,(H,19,26)(H,21,25)(H,22,27)/t12-,13-,15-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of -0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 157014672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).