N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide

C24H25N3O4 — CID 644897

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-11-4-10-19(15-20)27(24(29)21-12-6-14-31-21)22(17-7-5-13-25-16-17)23(28)26-18-8-2-3-9-18/h4-7,10-16,18,22H,2-3,8-9H2,1H3,(H,26,28)
InChIKeyDBCSSJJLBGQSQZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 644897) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID644897
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-11-4-10-19(15-20)27(24(29)21-12-6-14-31-21)22(17-7-5-13-25-16-17)23(28)26-18-8-2-3-9-18/h4-7,10-16,18,22H,2-3,8-9H2,1H3,(H,26,28)
InChIKeyDBCSSJJLBGQSQZ-UHFFFAOYSA-N
XLogP4.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide (CID 644897) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is DBCSSJJLBGQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-20-11-4-10-19(15-20)27(24(29)21-12-6-14-31-21)22(17-7-5-13-25-16-17)23(28)26-18-8-2-3-9-18/h4-7,10-16,18,22H,2-3,8-9H2,1H3,(H,26,28).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 644897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).