N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide

C16H18FN3O — CID 62175245

IUPACN-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H18FN3O/c1-3-9-18-15-11-12(8-10-19-15)16(21)20(2)14-6-4-13(17)5-7-14/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChIKeyWUPULHGEFQFCBC-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.32
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide

N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62175245) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
PubChem CID62175245
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H18FN3O/c1-3-9-18-15-11-12(8-10-19-15)16(21)20(2)14-6-4-13(17)5-7-14/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChIKeyWUPULHGEFQFCBC-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61061331
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 79864167
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-[2-(dimethylamino)-2-methylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62177285
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 107486059
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide (CID 62175245) is N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)c2ccc(F)cc2)ccn1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is WUPULHGEFQFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-9-18-15-11-12(8-10-19-15)16(21)20(2)14-6-4-13(17)5-7-14/h4-8,10-11H,3,9H2,1-2H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62175245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).