5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide

C16H24BrN3O — CID 62179650

IUPAC5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CCC)CC1CC1
InChIInChI=1S/C16H24BrN3O/c1-3-7-18-15-14(9-13(17)10-19-15)16(21)20(8-4-2)11-12-5-6-12/h9-10,12H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyMJIBLZQDIQBATO-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.93
Rot. Bonds8

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

5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62179650) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID62179650
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CCC)CC1CC1
InChIInChI=1S/C16H24BrN3O/c1-3-7-18-15-14(9-13(17)10-19-15)16(21)20(8-4-2)11-12-5-6-12/h9-10,12H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyMJIBLZQDIQBATO-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 62177656
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
N-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186045
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968772
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide (CID 62179650) is 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)N(CCC)CC1CC1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is MJIBLZQDIQBATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-7-18-15-14(9-13(17)10-19-15)16(21)20(8-4-2)11-12-5-6-12/h9-10,12H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62179650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).