N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide

C16H18BrN3O — CID 107578587

IUPACN-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C16H18BrN3O/c1-3-5-18-13-4-6-19-15(10-13)16(21)20-14-8-11(2)7-12(17)9-14/h4,6-10H,3,5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYVZHSEAGAFGASG-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.23
Rot. Bonds5

About N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide

N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 107578587) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID107578587
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C16H18BrN3O/c1-3-5-18-13-4-6-19-15(10-13)16(21)20-14-8-11(2)7-12(17)9-14/h4,6-10H,3,5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYVZHSEAGAFGASG-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-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173116
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62185216

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide (CID 107578587) is N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2cc(C)cc(Br)c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is YVZHSEAGAFGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-5-18-13-4-6-19-15(10-13)16(21)20-14-8-11(2)7-12(17)9-14/h4,6-10H,3,5H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(3-bromo-5-methylphenyl)-4-(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-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107578587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).