N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide

C25H27N3O3 — CID 3196510

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-18-11-13-21(14-12-18)28(25(30)22-10-6-16-31-22)23(19-7-5-15-26-17-19)24(29)27-20-8-3-4-9-20/h5-7,10-17,20,23H,2-4,8-9H2,1H3,(H,27,29)
InChIKeyHMAJGZYOIGMFAC-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.68
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide (PubChem CID 3196510) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
PubChem CID3196510
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-18-11-13-21(14-12-18)28(25(30)22-10-6-16-31-22)23(19-7-5-15-26-17-19)24(29)27-20-8-3-4-9-20/h5-7,10-17,20,23H,2-4,8-9H2,1H3,(H,27,29)
InChIKeyHMAJGZYOIGMFAC-UHFFFAOYSA-N
XLogP4.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide (CID 3196510) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide is CCc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The InChIKey is HMAJGZYOIGMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-18-11-13-21(14-12-18)28(25(30)22-10-6-16-31-22)23(19-7-5-15-26-17-19)24(29)27-20-8-3-4-9-20/h5-7,10-17,20,23H,2-4,8-9H2,1H3,(H,27,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).