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

C16H24BrN3O — CID 63501657

IUPAC5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C16H24BrN3O/c1-2-9-18-15-14(10-12(17)11-19-15)16(21)20-13-7-5-3-4-6-8-13/h10-11,13H,2-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyVDPLWMTZPJMYHU-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.12
Rot. Bonds5

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

5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 63501657) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID63501657
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C16H24BrN3O/c1-2-9-18-15-14(10-12(17)11-19-15)16(21)20-13-7-5-3-4-6-8-13/h10-11,13H,2-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyVDPLWMTZPJMYHU-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.12
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-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968772
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
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide (CID 63501657) is 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NC1CCCCCC1.
What is the InChIKey of 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is VDPLWMTZPJMYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-2-9-18-15-14(10-12(17)11-19-15)16(21)20-13-7-5-3-4-6-8-13/h10-11,13H,2-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63501657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).