5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide

C13H18BrN3O — CID 62414263

IUPAC5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC1CCC1
InChIInChI=1S/C13H18BrN3O/c1-2-6-15-12-11(7-9(14)8-16-12)13(18)17-10-4-3-5-10/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOSSHMUMHPMILFO-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.95
Rot. Bonds5

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

5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62414263) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID62414263
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC1CCC1
InChIInChI=1S/C13H18BrN3O/c1-2-6-15-12-11(7-9(14)8-16-12)13(18)17-10-4-3-5-10/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOSSHMUMHPMILFO-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968772
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62186912
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide (CID 62414263) is 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NC1CCC1.
What is the InChIKey of 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is OSSHMUMHPMILFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-6-15-12-11(7-9(14)8-16-12)13(18)17-10-4-3-5-10/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62414263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).