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

C23H28N4O4 — CID 3205114

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C23H28N4O4/c1-31-19-11-5-4-10-18(19)27(16-22(29)25-17-8-2-3-9-17)23(30)14-13-21(28)26-20-12-6-7-15-24-20/h4-7,10-12,15,17H,2-3,8-9,13-14,16H2,1H3,(H,25,29)(H,24,26,28)
InChIKeyDADNWIBFJRKKMB-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.90
Rot. Bonds9

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

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3205114) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID3205114
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C23H28N4O4/c1-31-19-11-5-4-10-18(19)27(16-22(29)25-17-8-2-3-9-17)23(30)14-13-21(28)26-20-12-6-7-15-24-20/h4-7,10-12,15,17H,2-3,8-9,13-14,16H2,1H3,(H,25,29)(H,24,26,28)
InChIKeyDADNWIBFJRKKMB-UHFFFAOYSA-N
XLogP2.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.90
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'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide (CID 3205114) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide is COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is DADNWIBFJRKKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-19-11-5-4-10-18(19)27(16-22(29)25-17-8-2-3-9-17)23(30)14-13-21(28)26-20-12-6-7-15-24-20/h4-7,10-12,15,17H,2-3,8-9,13-14,16H2,1H3,(H,25,29)(H,24,26,28).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 424.50 g/mol, XLogP of 2.90, 9 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'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).