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

C22H27N3O3 — CID 91912948

IUPACN-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C22H27N3O3/c1-15(2)28-18-8-6-16(7-9-18)14-24-22(27)19-4-3-5-20(19)25-21(26)17-10-12-23-13-11-17/h6-13,15,19-20H,3-5,14H2,1-2H3,(H,24,27)(H,25,26)/t19-,20+/m0/s1
InChIKeyNJHVOBUNHXRHON-VQTJNVASSA-N
MW381.48 g/mol
LogP3.08
Rot. Bonds7

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

N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (PubChem CID 91912948) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
PubChem CID91912948
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C22H27N3O3/c1-15(2)28-18-8-6-16(7-9-18)14-24-22(27)19-4-3-5-20(19)25-21(26)17-10-12-23-13-11-17/h6-13,15,19-20H,3-5,14H2,1-2H3,(H,24,27)(H,25,26)/t19-,20+/m0/s1
InChIKeyNJHVOBUNHXRHON-VQTJNVASSA-N
XLogP3.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913019
2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 110013989
N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913023
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882182
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide (CID 91912948) is N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is CC(C)Oc1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is NJHVOBUNHXRHON-VQTJNVASSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)28-18-8-6-16(7-9-18)14-24-22(27)19-4-3-5-20(19)25-21(26)17-10-12-23-13-11-17/h6-13,15,19-20H,3-5,14H2,1-2H3,(H,24,27)(H,25,26)/t19-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.08, 7 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-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91912948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).