N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C23H22FN3O3 — CID 92635156

IUPACN-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H22FN3O3/c1-16-4-2-5-17(14-16)11-12-25-21(28)15-27-13-3-6-20(23(27)30)22(29)26-19-9-7-18(24)8-10-19/h2-10,13-14H,11-12,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyCQLNFPUZWOYFSG-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.91
Rot. Bonds7

About N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635156) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID92635156
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H22FN3O3/c1-16-4-2-5-17(14-16)11-12-25-21(28)15-27-13-3-6-20(23(27)30)22(29)26-19-9-7-18(24)8-10-19/h2-10,13-14H,11-12,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyCQLNFPUZWOYFSG-UHFFFAOYSA-N
XLogP2.91
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N-(4-fluorophenyl)-1-[2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635170
4-fluoro-N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 92634672
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
1-[(3-methylphenyl)methyl]-N-(6-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 99609154
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635470
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 92635156) is N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1cccc(CCNC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CQLNFPUZWOYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-16-4-2-5-17(14-16)11-12-25-21(28)15-27-13-3-6-20(23(27)30)22(29)26-19-9-7-18(24)8-10-19/h2-10,13-14H,11-12,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).