6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H16FN3O — CID 153360760

IUPAC6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)c(F)c1
InChIInChI=1S/C19H16FN3O/c1-13-4-6-16(17(20)9-13)18-7-5-15(12-22-18)19(24)23-11-14-3-2-8-21-10-14/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyXRMXPPRRXCDASP-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.52
Rot. Bonds4

About 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 153360760) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID153360760
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)c(F)c1
InChIInChI=1S/C19H16FN3O/c1-13-4-6-16(17(20)9-13)18-7-5-15(12-22-18)19(24)23-11-14-3-2-8-21-10-14/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyXRMXPPRRXCDASP-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 153360760) is 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XRMXPPRRXCDASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-13-4-6-16(17(20)9-13)18-7-5-15(12-22-18)19(24)23-11-14-3-2-8-21-10-14/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 153360760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).