(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C22H23FN2O2 — CID 68606231

IUPAC(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(C(C)C)cc1NC(=O)C1=CNC(=O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C22H23FN2O2/c1-13(2)15-8-7-14(3)20(10-15)25-22(27)19-12-24-21(26)11-18(19)16-5-4-6-17(23)9-16/h4-10,12-13,18H,11H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1
InChIKeyAPAMRBBWAJFCMQ-GOSISDBHSA-N
MW366.44 g/mol
LogP4.38
Rot. Bonds4

About (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 68606231) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID68606231
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(C(C)C)cc1NC(=O)C1=CNC(=O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C22H23FN2O2/c1-13(2)15-8-7-14(3)20(10-15)25-22(27)19-12-24-21(26)11-18(19)16-5-4-6-17(23)9-16/h4-10,12-13,18H,11H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1
InChIKeyAPAMRBBWAJFCMQ-GOSISDBHSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3-fluorophenyl)-N-[2-methyl-5-(6-methylpyridazin-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 46832925
(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378005
4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378013
4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215659
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
(4S)-N-(2-bromo-3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378011
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
CID 68607305
(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67277239
5-[[4-fluoro-5-(2-hydroxypropoxy)-2-methylanilino]-hydroxymethyl]-4-(3-fluorophenyl)-3,4-dihydro-1H-pyridin-2-one
CID 91497716
(4S)-4-(4-fluorophenyl)-2-oxo-N-[5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67276541
2-hydroxy-N-(2-methyl-5-propan-2-ylphenyl)benzamide
CID 172640282

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 68606231) is (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1ccc(C(C)C)cc1NC(=O)C1=CNC(=O)C[C@@H]1c1cccc(F)c1.
What is the InChIKey of (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is APAMRBBWAJFCMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-13(2)15-8-7-14(3)20(10-15)25-22(27)19-12-24-21(26)11-18(19)16-5-4-6-17(23)9-16/h4-10,12-13,18H,11H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1.
What are the key properties of (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 68606231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).