N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C26H28N4O4 — CID 3211636

IUPACN-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C26H28N4O4/c31-23(17-28-25(32)22-13-7-15-34-22)30(18-19-8-2-1-3-9-19)24(20-10-6-14-27-16-20)26(33)29-21-11-4-5-12-21/h1-3,6-10,13-16,21,24H,4-5,11-12,17-18H2,(H,28,32)(H,29,33)
InChIKeyULAOATONUCFLQD-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.23
Rot. Bonds9

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

N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211636) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID3211636
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C26H28N4O4/c31-23(17-28-25(32)22-13-7-15-34-22)30(18-19-8-2-1-3-9-19)24(20-10-6-14-27-16-20)26(33)29-21-11-4-5-12-21/h1-3,6-10,13-16,21,24H,4-5,11-12,17-18H2,(H,28,32)(H,29,33)
InChIKeyULAOATONUCFLQD-UHFFFAOYSA-N
XLogP3.23
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211640
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211759
ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 3211852
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211516
N-[2-[benzyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40836398
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211863
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 651487
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 650817
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211629

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 3211636) is N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1.
What is the InChIKey of N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ULAOATONUCFLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-23(17-28-25(32)22-13-7-15-34-22)30(18-19-8-2-1-3-9-19)24(20-10-6-14-27-16-20)26(33)29-21-11-4-5-12-21/h1-3,6-10,13-16,21,24H,4-5,11-12,17-18H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).