3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide

C15H14ClFN2O2 — CID 66464622

IUPAC3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccncc2Cl)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-19(15(20)11-5-6-18-8-12(11)16)9-10-3-4-14(21-2)13(17)7-10/h3-8H,9H2,1-2H3
InChIKeyNDWSMOUAUVGLQG-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.15
Rot. Bonds4

About 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide

3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 66464622) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID66464622
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccncc2Cl)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-19(15(20)11-5-6-18-8-12(11)16)9-10-3-4-14(21-2)13(17)7-10/h3-8H,9H2,1-2H3
InChIKeyNDWSMOUAUVGLQG-UHFFFAOYSA-N
XLogP3.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31327338
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796966
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 16597367
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18115905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide (CID 66464622) is 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide is COc1ccc(CN(C)C(=O)c2ccncc2Cl)cc1F.
What is the InChIKey of 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is NDWSMOUAUVGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-19(15(20)11-5-6-18-8-12(11)16)9-10-3-4-14(21-2)13(17)7-10/h3-8H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66464622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).