N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide

C13H16N2O2 — CID 111661211

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cn1
InChIInChI=1S/C13H16N2O2/c1-9-2-4-11(7-14-9)13(17)15-12-5-3-10(6-12)8-16/h2-5,7,10,12,16H,6,8H2,1H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyOFCKFLVMCYZKID-CMPLNLGQSA-N
MW232.28 g/mol
LogP1.06
Rot. Bonds3

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide (PubChem CID 111661211) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
PubChem CID111661211
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cn1
InChIInChI=1S/C13H16N2O2/c1-9-2-4-11(7-14-9)13(17)15-12-5-3-10(6-12)8-16/h2-5,7,10,12,16H,6,8H2,1H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyOFCKFLVMCYZKID-CMPLNLGQSA-N
XLogP1.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
3-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylbenzamide
CID 111696980
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661556
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111696768
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
CID 111661805
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269
4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696841
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide (CID 111661211) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cn1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is OFCKFLVMCYZKID-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-2-4-11(7-14-9)13(17)15-12-5-3-10(6-12)8-16/h2-5,7,10,12,16H,6,8H2,1H3,(H,15,17)/t10-,12+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 111661211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).