N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide

C19H23FN2O2 — CID 74237938

IUPACN-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide
SMILESCOCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)c(C)c1
InChIInChI=1S/C19H23FN2O2/c1-14-11-17(12-21-15(14)2)19(23)22(9-4-10-24-3)13-16-5-7-18(20)8-6-16/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKeyQWVULQDKDOTHHZ-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.52
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide (PubChem CID 74237938) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide
PubChem CID74237938
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide
SMILESCOCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)c(C)c1
InChIInChI=1S/C19H23FN2O2/c1-14-11-17(12-21-15(14)2)19(23)22(9-4-10-24-3)13-16-5-7-18(20)8-6-16/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKeyQWVULQDKDOTHHZ-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5077236
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 4098607
4-fluoro-N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 42877701
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
4-fluoro-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5182735
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 5095440
N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylpyridine-2-carboxamide
CID 131912051
4-fluoro-N-(3-methoxypropyl)-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008783
N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74240716
N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 131945864
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide (CID 74237938) is N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide is COCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)c(C)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is QWVULQDKDOTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-11-17(12-21-15(14)2)19(23)22(9-4-10-24-3)13-16-5-7-18(20)8-6-16/h5-8,11-12H,4,9-10,13H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 74237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).