N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide

C21H20FN3O — CID 59080484

IUPACN-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2cccnc2C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H20FN3O/c1-14-5-8-16(9-6-14)13-24-19-4-3-11-23-20(19)21(26)25-17-10-7-15(2)18(22)12-17/h3-12,24H,13H2,1-2H3,(H,25,26)
InChIKeyOPEFYXMUTASREX-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.70
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide

N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 59080484) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID59080484
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2cccnc2C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H20FN3O/c1-14-5-8-16(9-6-14)13-24-19-4-3-11-23-20(19)21(26)25-17-10-7-15(2)18(22)12-17/h3-12,24H,13H2,1-2H3,(H,25,26)
InChIKeyOPEFYXMUTASREX-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 10133422
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800
N-(1H-indazol-5-yl)-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 15551930
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
CID 106910544
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 67044182
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908585
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide (CID 59080484) is N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1ccc(CNc2cccnc2C(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is OPEFYXMUTASREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-5-8-16(9-6-14)13-24-19-4-3-11-23-20(19)21(26)25-17-10-7-15(2)18(22)12-17/h3-12,24H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 59080484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).