4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide

C14H18N2O2 — CID 132970516

IUPAC4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C14H18N2O2/c1-2-10-5-6-15-13(8-10)14(18)16-12-4-3-11(7-12)9-17/h3-6,8,11-12,17H,2,7,9H2,1H3,(H,16,18)/t11-,12+/m0/s1
InChIKeyWPLZBSAQBYZSCS-NWDGAFQWSA-N
MW246.31 g/mol
LogP1.31
Rot. Bonds4

About 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide

4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide (PubChem CID 132970516) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide
PubChem CID132970516
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C14H18N2O2/c1-2-10-5-6-15-13(8-10)14(18)16-12-4-3-11(7-12)9-17/h3-6,8,11-12,17H,2,7,9H2,1H3,(H,16,18)/t11-,12+/m0/s1
InChIKeyWPLZBSAQBYZSCS-NWDGAFQWSA-N
XLogP1.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.31
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-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
CID 146125648
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630547
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide
CID 111661538
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111697089
5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661261
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide
CID 111661499
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide (CID 132970516) is 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide is CCc1ccnc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1.
What is the InChIKey of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide?
The InChIKey is WPLZBSAQBYZSCS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-10-5-6-15-13(8-10)14(18)16-12-4-3-11(7-12)9-17/h3-6,8,11-12,17H,2,7,9H2,1H3,(H,16,18)/t11-,12+/m0/s1.
What are the key properties of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide?
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 132970516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).