N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide

C32H27N3O3 — CID 156893239

IUPACN-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
SMILESCC(NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)
InChIKeyRYGJIKURQDMMQZ-UHFFFAOYSA-N
MW501.59 g/mol
LogP6.61
Rot. Bonds8

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

N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide (PubChem CID 156893239) has the molecular formula C32H27N3O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
PubChem CID156893239
Molecular FormulaC32H27N3O3
Molecular Weight501.59 g/mol
Exact Mass501.21
IUPAC NameN-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
SMILESCC(NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)
InChIKeyRYGJIKURQDMMQZ-UHFFFAOYSA-N
XLogP6.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid
CID 171502910
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
CID 163391787
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyridin-3-ylphenyl)furan-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53308715
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53308719
2-bromo-2,2-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
CID 162396354
2,2-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)propanamide
CID 162396351
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
4-methyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)pent-2-ynamide
CID 177371547
2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
CID 172875287
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-cyanophenyl)phenyl]furan-2-carboxamide
CID 53488290
N-(4-butan-2-ylphenyl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 46897842
methyl (E)-4-oxo-4-(N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-4-phenylanilino)but-2-enoate
CID 177371538

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide (CID 156893239) is N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide is CC(NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The InChIKey is RYGJIKURQDMMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36).
What are the key properties of N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide?
N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide is sourced from PubChem (CID 156893239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).