N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide

C23H24FN3O — CID 109233596

IUPACN-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cncc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H24FN3O/c1-15(2)21-6-4-5-16(3)22(21)27-20-11-18(13-25-14-20)23(28)26-12-17-7-9-19(24)10-8-17/h4-11,13-15,27H,12H2,1-3H3,(H,26,28)
InChIKeyGQQSGPFONWUDGS-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.33
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109233596) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109233596
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cncc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H24FN3O/c1-15(2)21-6-4-5-16(3)22(21)27-20-11-18(13-25-14-20)23(28)26-12-17-7-9-19(24)10-8-17/h4-11,13-15,27H,12H2,1-3H3,(H,26,28)
InChIKeyGQQSGPFONWUDGS-UHFFFAOYSA-N
XLogP5.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethyl-6-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236445
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222930
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109241555
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide (CID 109233596) is N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide is Cc1cccc(C(C)C)c1Nc1cncc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is GQQSGPFONWUDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15(2)21-6-4-5-16(3)22(21)27-20-11-18(13-25-14-20)23(28)26-12-17-7-9-19(24)10-8-17/h4-11,13-15,27H,12H2,1-3H3,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109233596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).