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

C21H20FN3O2 — CID 10133422

IUPACN-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2cccnc2C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H20FN3O2/c1-14-5-8-16(12-18(14)22)25-21(26)20-19(4-3-11-23-20)24-13-15-6-9-17(27-2)10-7-15/h3-12,24H,13H2,1-2H3,(H,25,26)
InChIKeyBJVHFZXZNXIACJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.40
Rot. Bonds6

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

N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 10133422) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID10133422
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2cccnc2C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H20FN3O2/c1-14-5-8-16(12-18(14)22)25-21(26)20-19(4-3-11-23-20)24-13-15-6-9-17(27-2)10-7-15/h3-12,24H,13H2,1-2H3,(H,25,26)
InChIKeyBJVHFZXZNXIACJ-UHFFFAOYSA-N
XLogP4.40
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 59080484
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-(3-fluoro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963578
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53169178
N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 67044182
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190539
N-(1H-indazol-5-yl)-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 15551930
N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide
CID 90757999
N-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46382665
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171310
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 10133422) is N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2cccnc2C(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is BJVHFZXZNXIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-5-8-16(12-18(14)22)25-21(26)20-19(4-3-11-23-20)24-13-15-6-9-17(27-2)10-7-15/h3-12,24H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 10133422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).