N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide

C25H26N4O4 — CID 3211447

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccccc1)c1ccco1
InChIInChI=1S/C25H26N4O4/c30-22(17-27-24(31)21-13-7-15-33-21)29(20-12-6-14-26-16-20)23(18-8-2-1-3-9-18)25(32)28-19-10-4-5-11-19/h1-3,6-9,12-16,19,23H,4-5,10-11,17H2,(H,27,31)(H,28,32)
InChIKeyHGSIWANURRJUJT-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.24
Rot. Bonds8

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211447) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID3211447
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccccc1)c1ccco1
InChIInChI=1S/C25H26N4O4/c30-22(17-27-24(31)21-13-7-15-33-21)29(20-12-6-14-26-16-20)23(18-8-2-1-3-9-18)25(32)28-19-10-4-5-11-19/h1-3,6-9,12-16,19,23H,4-5,10-11,17H2,(H,27,31)(H,28,32)
InChIKeyHGSIWANURRJUJT-UHFFFAOYSA-N
XLogP3.24
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide (CID 3211447) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccccc1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HGSIWANURRJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-22(17-27-24(31)21-13-7-15-33-21)29(20-12-6-14-26-16-20)23(18-8-2-1-3-9-18)25(32)28-19-10-4-5-11-19/h1-3,6-9,12-16,19,23H,4-5,10-11,17H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).