5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide

C15H17BrN4O — CID 62172279

IUPAC5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H17BrN4O/c1-3-7-17-14-12(8-11(16)9-18-14)15(21)20-13-6-4-5-10(2)19-13/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyYTHSRYOWFXWKCJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.62
Rot. Bonds5

About 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62172279) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62172279
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H17BrN4O/c1-3-7-17-14-12(8-11(16)9-18-14)15(21)20-13-6-4-5-10(2)19-13/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyYTHSRYOWFXWKCJ-UHFFFAOYSA-N
XLogP3.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62171746
5-chloro-N-(6-methyl-2-pyridinyl)-6-(propylamino)pyridine-3-carboxamide
CID 62170701
N-(6-methyl-2-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235208
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62186287

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide (CID 62172279) is 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)Nc1cccc(C)n1.
What is the InChIKey of 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is YTHSRYOWFXWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-7-17-14-12(8-11(16)9-18-14)15(21)20-13-6-4-5-10(2)19-13/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)(H,19,20,21).
What are the key properties of 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62172279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).