N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

C17H19N3O2S — CID 91913030

IUPACN-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NCc1cccs1)c1ccncc1
InChIInChI=1S/C17H19N3O2S/c21-16(12-6-8-18-9-7-12)20-15-5-1-4-14(15)17(22)19-11-13-3-2-10-23-13/h2-3,6-10,14-15H,1,4-5,11H2,(H,19,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyWOVTVLQQPWCINQ-LSDHHAIUSA-N
MW329.42 g/mol
LogP2.36
Rot. Bonds5

About N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 91913030) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID91913030
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NCc1cccs1)c1ccncc1
InChIInChI=1S/C17H19N3O2S/c21-16(12-6-8-18-9-7-12)20-15-5-1-4-14(15)17(22)19-11-13-3-2-10-23-13/h2-3,6-10,14-15H,1,4-5,11H2,(H,19,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyWOVTVLQQPWCINQ-LSDHHAIUSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913019
N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912948
N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913023
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 24869731
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912947
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (CID 91913030) is N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is O=C(N[C@@H]1CCC[C@@H]1C(=O)NCc1cccs1)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is WOVTVLQQPWCINQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(12-6-8-18-9-7-12)20-15-5-1-4-14(15)17(22)19-11-13-3-2-10-23-13/h2-3,6-10,14-15H,1,4-5,11H2,(H,19,22)(H,20,21)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91913030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).