N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide

C16H18BrN3O — CID 62239243

IUPACN-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C16H18BrN3O/c1-3-9-18-15-6-4-5-14(19-15)16(21)20-13-8-7-11(2)10-12(13)17/h4-8,10H,3,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGGGZAZQVZVEKFG-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.23
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide

N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62239243) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62239243
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C16H18BrN3O/c1-3-9-18-15-6-4-5-14(19-15)16(21)20-13-8-7-11(2)10-12(13)17/h4-8,10H,3,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGGGZAZQVZVEKFG-UHFFFAOYSA-N
XLogP4.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 82750044
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728
N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 82758471
N-(2-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 5169363
N-(4,6-dimethyl-2-pyridinyl)-6-(propylamino)pyridine-2-carboxamide
CID 114933112
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
N-(2,5-dimethylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239617
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 107631451
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide (CID 62239243) is N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2ccc(C)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is GGGZAZQVZVEKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-9-18-15-6-4-5-14(19-15)16(21)20-13-8-7-11(2)10-12(13)17/h4-8,10H,3,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide?
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62239243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).