1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C20H22FN3O3 — CID 110246763

IUPAC1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)C1CC1
InChIInChI=1S/C20H22FN3O3/c1-13(15-6-7-15)23-18(25)12-24-10-2-3-17(20(24)27)19(26)22-11-14-4-8-16(21)9-5-14/h2-5,8-10,13,15H,6-7,11-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyOYTGLUCDFLPOLI-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.83
Rot. Bonds7

About 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110246763) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110246763
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)C1CC1
InChIInChI=1S/C20H22FN3O3/c1-13(15-6-7-15)23-18(25)12-24-10-2-3-17(20(24)27)19(26)22-11-14-4-8-16(21)9-5-14/h2-5,8-10,13,15H,6-7,11-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyOYTGLUCDFLPOLI-UHFFFAOYSA-N
XLogP1.83
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide
CID 110246790
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 92635189
N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 110246744
N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635156
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635470
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
N-(4-fluorophenyl)-1-[2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635170
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 154787709
1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 92635290
N-(cyclopropylmethyl)-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635517

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110246763) is 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is CC(NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is OYTGLUCDFLPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13(15-6-7-15)23-18(25)12-24-10-2-3-17(20(24)27)19(26)22-11-14-4-8-16(21)9-5-14/h2-5,8-10,13,15H,6-7,11-12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110246763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).