N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide

C24H30N4O4 — CID 3197401

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCOc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C24H30N4O4/c1-32-20-11-6-10-19(16-20)28(17-23(30)26-18-8-2-3-9-18)24(31)14-7-13-22(29)27-21-12-4-5-15-25-21/h4-6,10-12,15-16,18H,2-3,7-9,13-14,17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyZMKADRZCOKPDRF-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.29
Rot. Bonds10

About N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197401) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197401
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCOc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C24H30N4O4/c1-32-20-11-6-10-19(16-20)28(17-23(30)26-18-8-2-3-9-18)24(31)14-7-13-22(29)27-21-12-4-5-15-25-21/h4-6,10-12,15-16,18H,2-3,7-9,13-14,17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyZMKADRZCOKPDRF-UHFFFAOYSA-N
XLogP3.29
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide (CID 3197401) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide is COc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is ZMKADRZCOKPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-32-20-11-6-10-19(16-20)28(17-23(30)26-18-8-2-3-9-18)24(31)14-7-13-22(29)27-21-12-4-5-15-25-21/h4-6,10-12,15-16,18H,2-3,7-9,13-14,17H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 438.53 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methoxyphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).