4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C18H22FN3O — CID 109211411

IUPAC4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN3O/c1-3-4-11-22(2)16-9-10-20-17(12-16)18(23)21-13-14-5-7-15(19)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyGAJKTHUQHBBCCO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.39
Rot. Bonds7

About 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211411) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211411
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN3O/c1-3-4-11-22(2)16-9-10-20-17(12-16)18(23)21-13-14-5-7-15(19)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyGAJKTHUQHBBCCO-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide
CID 99801113
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109211411) is 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CCCCN(C)c1ccnc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GAJKTHUQHBBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-4-11-22(2)16-9-10-20-17(12-16)18(23)21-13-14-5-7-15(19)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).