N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C27H28N4O5 — CID 3211622

IUPACN-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C27H28N4O5/c1-18(32)19-8-10-22(11-9-19)31(24(33)17-29-26(34)23-7-4-16-36-23)25(20-12-14-28-15-13-20)27(35)30-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17H2,1H3,(H,29,34)(H,30,35)
InChIKeyVPZLCOQZBYSLEN-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.44
Rot. Bonds9

About N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211622) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID3211622
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC NameN-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C27H28N4O5/c1-18(32)19-8-10-22(11-9-19)31(24(33)17-29-26(34)23-7-4-16-36-23)25(20-12-14-28-15-13-20)27(35)30-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17H2,1H3,(H,29,34)(H,30,35)
InChIKeyVPZLCOQZBYSLEN-UHFFFAOYSA-N
XLogP3.44
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 3211622) is N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is CC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VPZLCOQZBYSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-18(32)19-8-10-22(11-9-19)31(24(33)17-29-26(34)23-7-4-16-36-23)25(20-12-14-28-15-13-20)27(35)30-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).