5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide

C15H19BrN4O — CID 62175268

IUPAC5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C15H19BrN4O/c1-2-7-18-14-13(9-11(16)10-19-14)15(21)20(8-3-6-17)12-4-5-12/h9-10,12H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyYUBJVPHTPFTGTK-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.18
Rot. Bonds7

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

5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62175268) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID62175268
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C15H19BrN4O/c1-2-7-18-14-13(9-11(16)10-19-14)15(21)20(8-3-6-17)12-4-5-12/h9-10,12H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyYUBJVPHTPFTGTK-UHFFFAOYSA-N
XLogP3.18
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385444
5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
CID 62179650
N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
CID 105069192
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
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
[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
5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 102870609
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide (CID 62175268) is 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is YUBJVPHTPFTGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-2-7-18-14-13(9-11(16)10-19-14)15(21)20(8-3-6-17)12-4-5-12/h9-10,12H,2-5,7-8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62175268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).