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

C16H26BrN3O — CID 65042966

IUPAC5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC(CC)(CC)CC
InChIInChI=1S/C16H26BrN3O/c1-5-9-18-14-13(10-12(17)11-19-14)15(21)20-16(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyFZBNWPBHSDUSRX-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.36
Rot. Bonds8

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

5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 65042966) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID65042966
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC(CC)(CC)CC
InChIInChI=1S/C16H26BrN3O/c1-5-9-18-14-13(10-12(17)11-19-14)15(21)20-16(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyFZBNWPBHSDUSRX-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
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
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508
5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62186287
5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 62178513

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide (CID 65042966) is 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NC(CC)(CC)CC.
What is the InChIKey of 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is FZBNWPBHSDUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-5-9-18-14-13(10-12(17)11-19-14)15(21)20-16(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 65042966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).