N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide

C19H24FN3O — CID 109172539

IUPACN-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(NCCc2ccccc2F)c1
InChIInChI=1S/C19H24FN3O/c1-3-4-13-23(2)19(24)16-10-12-22-18(14-16)21-11-9-15-7-5-6-8-17(15)20/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,21,22)
InChIKeyLMGMHSDPVVQTBW-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.75
Rot. Bonds8

About N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide

N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide (PubChem CID 109172539) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide
PubChem CID109172539
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(NCCc2ccccc2F)c1
InChIInChI=1S/C19H24FN3O/c1-3-4-13-23(2)19(24)16-10-12-22-18(14-16)21-11-9-15-7-5-6-8-17(15)20/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,21,22)
InChIKeyLMGMHSDPVVQTBW-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172478
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172552
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide (CID 109172539) is N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(NCCc2ccccc2F)c1.
What is the InChIKey of N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide?
The InChIKey is LMGMHSDPVVQTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-4-13-23(2)19(24)16-10-12-22-18(14-16)21-11-9-15-7-5-6-8-17(15)20/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,21,22).
What are the key properties of N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide?
N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109172539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).