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

C25H27N3O4 — CID 651537

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
InChIInChI=1S/C25H27N3O4/c1-2-31-21-13-6-5-12-20(21)28(25(30)22-14-8-16-32-22)23(18-9-7-15-26-17-18)24(29)27-19-10-3-4-11-19/h5-9,12-17,19,23H,2-4,10-11H2,1H3,(H,27,29)
InChIKeyWYZKCWGRVNYKDD-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.52
Rot. Bonds8

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

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide (PubChem CID 651537) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
PubChem CID651537
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
InChIInChI=1S/C25H27N3O4/c1-2-31-21-13-6-5-12-20(21)28(25(30)22-14-8-16-32-22)23(18-9-7-15-26-17-18)24(29)27-19-10-3-4-11-19/h5-9,12-17,19,23H,2-4,10-11H2,1H3,(H,27,29)
InChIKeyWYZKCWGRVNYKDD-UHFFFAOYSA-N
XLogP4.52
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.52
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-(2-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide (CID 651537) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide is CCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is WYZKCWGRVNYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-31-21-13-6-5-12-20(21)28(25(30)22-14-8-16-32-22)23(18-9-7-15-26-17-18)24(29)27-19-10-3-4-11-19/h5-9,12-17,19,23H,2-4,10-11H2,1H3,(H,27,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.52, 8 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-(2-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 651537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).