4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide

C24H23FN4O2 — CID 155452511

IUPAC4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C#N)cc2Nc2ccc(F)cc2C(C)C)c(C)n1
InChIInChI=1S/C24H23FN4O2/c1-14(2)19-12-17(25)6-8-21(19)28-22-11-16(13-26)5-7-18(22)24(30)29-20-9-10-23(31-4)27-15(20)3/h5-12,14,28H,1-4H3,(H,29,30)
InChIKeyWKOLOLUJRQAWGV-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.53
Rot. Bonds6

About 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide

4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide (PubChem CID 155452511) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
PubChem CID155452511
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C#N)cc2Nc2ccc(F)cc2C(C)C)c(C)n1
InChIInChI=1S/C24H23FN4O2/c1-14(2)19-12-17(25)6-8-21(19)28-22-11-16(13-26)5-7-18(22)24(30)29-20-9-10-23(31-4)27-15(20)3/h5-12,14,28H,1-4H3,(H,29,30)
InChIKeyWKOLOLUJRQAWGV-UHFFFAOYSA-N
XLogP5.53
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide
CID 20786058
US11427558, Example 304
CID 155482789
3,4-difluoro-N-(2-methoxyquinolin-8-yl)benzamide
CID 49677609
6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide
CID 45254552
7-cyano-N-[(4-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide
CID 56847736
7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide
CID 56848440
3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxypyridin-2-yl)-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 58921635
N-(4-cyanophenyl)-2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxo-1,5-naphthyridin-1-yl]acetamide
CID 68359465
6-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 68550453
4-(1,1-difluoroethyl)-3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]benzamide
CID 88973029
N-(2-fluoroethyl)-3-(6-methoxy-2-pyridinyl)-2-azatricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,13,15-heptaen-10-yne-15-carboxamide
CID 89231103
N-[amino-[3-amino-6-[(2,5-difluorophenyl)methoxy]-2-pyridinyl]methylidene]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 129077028

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide (CID 155452511) is 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(C#N)cc2Nc2ccc(F)cc2C(C)C)c(C)n1.
What is the InChIKey of 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
The InChIKey is WKOLOLUJRQAWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14(2)19-12-17(25)6-8-21(19)28-22-11-16(13-26)5-7-18(22)24(30)29-20-9-10-23(31-4)27-15(20)3/h5-12,14,28H,1-4H3,(H,29,30).
What are the key properties of 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide?
4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide has a molecular weight of 418.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 155452511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).