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

C25H32N4O3 — CID 3197396

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-19-13-15-21(16-14-19)29(18-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-17-26-22/h5-6,10,13-17,20H,2-4,7-9,11-12,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyQHVCRLARWJCAAD-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.84
Rot. Bonds10

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

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197396) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197396
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-19-13-15-21(16-14-19)29(18-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-17-26-22/h5-6,10,13-17,20H,2-4,7-9,11-12,18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyQHVCRLARWJCAAD-UHFFFAOYSA-N
XLogP3.84
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
CID 647847
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)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 155902534
N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 3204903
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197375
N'-(4-butoxyphenyl)-N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 3197371
N'-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylpentanediamide
CID 98101975
N'-benzyl-N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 3197364
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
N'-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(3,4-dimethylphenyl)-N-pyridin-2-ylpentanediamide
CID 98101835
N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide
CID 3197434

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide (CID 3197396) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide is CCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is QHVCRLARWJCAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-19-13-15-21(16-14-19)29(18-24(31)27-20-8-3-4-9-20)25(32)12-7-11-23(30)28-22-10-5-6-17-26-22/h5-6,10,13-17,20H,2-4,7-9,11-12,18H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 436.56 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).