N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide

C24H30N4O4 — CID 653163

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H30N4O4/c1-2-32-20-12-10-19(11-13-20)28(17-23(30)26-18-7-3-4-8-18)24(31)15-14-22(29)27-21-9-5-6-16-25-21/h5-6,9-13,16,18H,2-4,7-8,14-15,17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyOTNGCYYJIVHHOD-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.29
Rot. Bonds10

About N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 653163) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID653163
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H30N4O4/c1-2-32-20-12-10-19(11-13-20)28(17-23(30)26-18-7-3-4-8-18)24(31)15-14-22(29)27-21-9-5-6-16-25-21/h5-6,9-13,16,18H,2-4,7-8,14-15,17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyOTNGCYYJIVHHOD-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'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide (CID 653163) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide is CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is OTNGCYYJIVHHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-2-32-20-12-10-19(11-13-20)28(17-23(30)26-18-7-3-4-8-18)24(31)15-14-22(29)27-21-9-5-6-16-25-21/h5-6,9-13,16,18H,2-4,7-8,14-15,17H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide 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'-(4-ethoxyphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 653163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).