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

C16H18BrN3O — CID 62186791

IUPACN-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H18BrN3O/c1-3-8-18-15-13(5-4-9-19-15)16(21)20-14-7-6-12(17)10-11(14)2/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyISDVCERVKKLXFY-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.23
Rot. Bonds5

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

N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62186791) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62186791
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H18BrN3O/c1-3-8-18-15-13(5-4-9-19-15)16(21)20-14-7-6-12(17)10-11(14)2/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyISDVCERVKKLXFY-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-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
ethyl 2-[[3-(4-bromo-2-methylanilino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 133469735
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62171746
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9195968
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62185086

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide (CID 62186791) is N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is ISDVCERVKKLXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-8-18-15-13(5-4-9-19-15)16(21)20-14-7-6-12(17)10-11(14)2/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-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-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62186791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).