N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide

C16H17FN2O3 — CID 146080495

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(F)c(C)n2)c(OC)c1
InChIInChI=1S/C16H17FN2O3/c1-10-13(17)6-7-14(19-10)16(20)18-9-11-4-5-12(21-2)8-15(11)22-3/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyVXFFILYYRLOVIW-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.48
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide (PubChem CID 146080495) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
PubChem CID146080495
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(F)c(C)n2)c(OC)c1
InChIInChI=1S/C16H17FN2O3/c1-10-13(17)6-7-14(19-10)16(20)18-9-11-4-5-12(21-2)8-15(11)22-3/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyVXFFILYYRLOVIW-UHFFFAOYSA-N
XLogP2.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
(2,4-dimethoxyphenyl)methylurea
CID 53362457
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619175
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
3-(2-chloro-6-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46590142
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide (CID 146080495) is N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(F)c(C)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
The InChIKey is VXFFILYYRLOVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-13(17)6-7-14(19-10)16(20)18-9-11-4-5-12(21-2)8-15(11)22-3/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 146080495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).