N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide

C21H25N3O4 — CID 91913023

IUPACN-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H25N3O4/c1-27-16-6-7-19(28-2)15(12-16)13-23-21(26)17-4-3-5-18(17)24-20(25)14-8-10-22-11-9-14/h6-12,17-18H,3-5,13H2,1-2H3,(H,23,26)(H,24,25)/t17-,18+/m0/s1
InChIKeyOYRYZVNQGZEPBK-ZWKOTPCHSA-N
MW383.45 g/mol
LogP2.31
Rot. Bonds7

About N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (PubChem CID 91913023) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
PubChem CID91913023
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H25N3O4/c1-27-16-6-7-19(28-2)15(12-16)13-23-21(26)17-4-3-5-18(17)24-20(25)14-8-10-22-11-9-14/h6-12,17-18H,3-5,13H2,1-2H3,(H,23,26)(H,24,25)/t17-,18+/m0/s1
InChIKeyOYRYZVNQGZEPBK-ZWKOTPCHSA-N
XLogP2.31
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
cis-(1S,2R)-2-N-tert-butyl-1-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1,2-dicarboxamide
CID 46982400
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 46649997
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[8-(2,5-dimethoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (CID 91913023) is N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is COc1ccc(OC)c(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is OYRYZVNQGZEPBK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-16-6-7-19(28-2)15(12-16)13-23-21(26)17-4-3-5-18(17)24-20(25)14-8-10-22-11-9-14/h6-12,17-18H,3-5,13H2,1-2H3,(H,23,26)(H,24,25)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91913023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).