N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide

C31H35ClN4O3 — CID 3197375

IUPACN'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C31H35ClN4O3/c1-2-22-10-3-6-13-26(22)36(29(38)16-9-15-28(37)35-27-14-7-8-21-33-27)30(23-17-19-24(32)20-18-23)31(39)34-25-11-4-5-12-25/h3,6-8,10,13-14,17-21,25,30H,2,4-5,9,11-12,15-16H2,1H3,(H,34,39)(H,33,35,37)
InChIKeyWESCJOHLHUKIKH-UHFFFAOYSA-N
MW547.10 g/mol
LogP6.24
Rot. Bonds11

About N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide

N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197375) has the molecular formula C31H35ClN4O3 and a molecular weight of 547.10 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197375
Molecular FormulaC31H35ClN4O3
Molecular Weight547.10 g/mol
Exact Mass546.24
IUPAC NameN'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C31H35ClN4O3/c1-2-22-10-3-6-13-26(22)36(29(38)16-9-15-28(37)35-27-14-7-8-21-33-27)30(23-17-19-24(32)20-18-23)31(39)34-25-11-4-5-12-25/h3,6-8,10,13-14,17-21,25,30H,2,4-5,9,11-12,15-16H2,1H3,(H,34,39)(H,33,35,37)
InChIKeyWESCJOHLHUKIKH-UHFFFAOYSA-N
XLogP6.24
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.10
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197373
N'-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N'-(2-fluorophenyl)-N-pyridin-2-ylpentanediamide
CID 3197442
N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197347
N'-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N'-(2-fluorophenyl)-N-pyridin-2-ylpentanediamide
CID 98102163
N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide
CID 98102149
N'-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 98101912
N'-(3-chloro-4-fluorophenyl)-N'-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 98102004
N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197349
N'-(3-chloro-4-fluorophenyl)-N'-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 3197214
N'-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N'-(2,4-dimethylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197286
N'-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N'-(2,5-dimethoxyphenyl)-N-pyridin-2-ylpentanediamide
CID 3197297
N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide
CID 98101929

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide (CID 3197375) is N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide is CCc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is WESCJOHLHUKIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4O3/c1-2-22-10-3-6-13-26(22)36(29(38)16-9-15-28(37)35-27-14-7-8-21-33-27)30(23-17-19-24(32)20-18-23)31(39)34-25-11-4-5-12-25/h3,6-8,10,13-14,17-21,25,30H,2,4-5,9,11-12,15-16H2,1H3,(H,34,39)(H,33,35,37).
What are the key properties of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide?
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 547.10 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).