N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide

C28H26N4O4 — CID 40733987

IUPACN-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccncc2)N(Cc2ccco2)C(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N4O4/c1-20-9-11-23(12-10-20)31-28(35)26(21-13-15-29-16-14-21)32(19-24-8-5-17-36-24)25(33)18-30-27(34)22-6-3-2-4-7-22/h2-17,26H,18-19H2,1H3,(H,30,34)(H,31,35)/t26-/m1/s1
InChIKeyVIZVRAYQHQCWTB-AREMUKBSSA-N
MW482.54 g/mol
LogP4.12
Rot. Bonds9

About N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide

N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 40733987) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID40733987
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccncc2)N(Cc2ccco2)C(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N4O4/c1-20-9-11-23(12-10-20)31-28(35)26(21-13-15-29-16-14-21)32(19-24-8-5-17-36-24)25(33)18-30-27(34)22-6-3-2-4-7-22/h2-17,26H,18-19H2,1H3,(H,30,34)(H,31,35)/t26-/m1/s1
InChIKeyVIZVRAYQHQCWTB-AREMUKBSSA-N
XLogP4.12
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25316603
N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316249
N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216723
N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25314627
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3206245
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25314716
(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 41186728
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3202431
N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25315033
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25314615

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide (CID 40733987) is N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide is Cc1ccc(NC(=O)[C@@H](c2ccncc2)N(Cc2ccco2)C(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is VIZVRAYQHQCWTB-AREMUKBSSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-20-9-11-23(12-10-20)31-28(35)26(21-13-15-29-16-14-21)32(19-24-8-5-17-36-24)25(33)18-30-27(34)22-6-3-2-4-7-22/h2-17,26H,18-19H2,1H3,(H,30,34)(H,31,35)/t26-/m1/s1.
What are the key properties of N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide?
N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl-[(1R)-2-(4-methylanilino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 40733987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).