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

C15H16FN3O — CID 105385956

IUPAC2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C15H16FN3O/c1-10-4-3-5-11(8-10)9-19(2)15(20)12-6-7-18-14(17)13(12)16/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyGAHJGILAAGIMQT-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.38
Rot. Bonds3

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

2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 105385956) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID105385956
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C15H16FN3O/c1-10-4-3-5-11(8-10)9-19(2)15(20)12-6-7-18-14(17)13(12)16/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyGAHJGILAAGIMQT-UHFFFAOYSA-N
XLogP2.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-amino-3-fluoro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105384771
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (CID 105385956) is 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is Cc1cccc(CN(C)C(=O)c2ccnc(N)c2F)c1.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is GAHJGILAAGIMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-4-3-5-11(8-10)9-19(2)15(20)12-6-7-18-14(17)13(12)16/h3-8H,9H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105385956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).