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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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).