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

C20H23N3O2 — CID 91913012

IUPACN-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NCCc1ccccc1)c1ccncc1
InChIInChI=1S/C20H23N3O2/c24-19(16-10-12-21-13-11-16)23-18-8-4-7-17(18)20(25)22-14-9-15-5-2-1-3-6-15/h1-3,5-6,10-13,17-18H,4,7-9,14H2,(H,22,25)(H,23,24)/t17-,18+/m0/s1
InChIKeyPFNCELRUQCJBNM-ZWKOTPCHSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds6

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

N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 91913012) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID91913012
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)NCCc1ccccc1)c1ccncc1
InChIInChI=1S/C20H23N3O2/c24-19(16-10-12-21-13-11-16)23-18-8-4-7-17(18)20(25)22-14-9-15-5-2-1-3-6-15/h1-3,5-6,10-13,17-18H,4,7-9,14H2,(H,22,25)(H,23,24)/t17-,18+/m0/s1
InChIKeyPFNCELRUQCJBNM-ZWKOTPCHSA-N
XLogP2.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913019
5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925585
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912948
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912947
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913023

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (CID 91913012) is N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is O=C(N[C@@H]1CCC[C@@H]1C(=O)NCCc1ccccc1)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is PFNCELRUQCJBNM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(16-10-12-21-13-11-16)23-18-8-4-7-17(18)20(25)22-14-9-15-5-2-1-3-6-15/h1-3,5-6,10-13,17-18H,4,7-9,14H2,(H,22,25)(H,23,24)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91913012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).