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

C20H23N3O3 — CID 91913019

IUPACN-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-16-7-5-14(6-8-16)13-22-20(25)17-3-2-4-18(17)23-19(24)15-9-11-21-12-10-15/h5-12,17-18H,2-4,13H2,1H3,(H,22,25)(H,23,24)/t17-,18+/m0/s1
InChIKeyRSNCUEQLXMIULS-ZWKOTPCHSA-N
MW353.42 g/mol
LogP2.31
Rot. Bonds6

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

N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (PubChem CID 91913019) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
PubChem CID91913019
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-16-7-5-14(6-8-16)13-22-20(25)17-3-2-4-18(17)23-19(24)15-9-11-21-12-10-15/h5-12,17-18H,2-4,13H2,1H3,(H,22,25)(H,23,24)/t17-,18+/m0/s1
InChIKeyRSNCUEQLXMIULS-ZWKOTPCHSA-N
XLogP2.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-[(1S,2R)-2-[2-(4-methoxyanilino)ethylcarbamoyl]cyclohexyl]-4-(quinolin-4-ylmethoxy)benzamide
CID 58808370
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
methyl 4-[[[2-[(4-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 118562041
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (CID 91913019) is N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is COc1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is RSNCUEQLXMIULS-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-16-7-5-14(6-8-16)13-22-20(25)17-3-2-4-18(17)23-19(24)15-9-11-21-12-10-15/h5-12,17-18H,2-4,13H2,1H3,(H,22,25)(H,23,24)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91913019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).