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

C15H15BrFN3O — CID 62173116

IUPACN-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-6-18-11-5-7-19-14(9-11)15(21)20-13-4-3-10(16)8-12(13)17/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyOMDRIQSQQSMHTE-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.06
Rot. Bonds5

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

N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62173116) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62173116
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-6-18-11-5-7-19-14(9-11)15(21)20-13-4-3-10(16)8-12(13)17/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyOMDRIQSQQSMHTE-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
N-(4-bromo-2-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618111
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide (CID 62173116) is N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is OMDRIQSQQSMHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-2-6-18-11-5-7-19-14(9-11)15(21)20-13-4-3-10(16)8-12(13)17/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).