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

C15H24BrN3O — CID 63499508

IUPAC5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C15H24BrN3O/c1-5-6-17-14-13(8-12(16)9-18-14)15(20)19-11(4)7-10(2)3/h8-11H,5-7H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyYFHYZMPNTSEIBI-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.83
Rot. Bonds7

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

5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 63499508) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID63499508
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C15H24BrN3O/c1-5-6-17-14-13(8-12(16)9-18-14)15(20)19-11(4)7-10(2)3/h8-11H,5-7H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyYFHYZMPNTSEIBI-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62186287
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65053644
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
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-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62172279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide (CID 63499508) is 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NC(C)CC(C)C.
What is the InChIKey of 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is YFHYZMPNTSEIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-5-6-17-14-13(8-12(16)9-18-14)15(20)19-11(4)7-10(2)3/h8-11H,5-7H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63499508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).