5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide

C13H16BrN5O — CID 62178513

IUPAC5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H16BrN5O/c1-2-3-15-12-11(4-10(14)8-16-12)13(20)17-5-9-6-18-19-7-9/h4,6-8H,2-3,5H2,1H3,(H,15,16)(H,17,20)(H,18,19)
InChIKeyGLVJBUOSPDFZEK-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.32
Rot. Bonds6

About 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide

5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 62178513) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID62178513
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H16BrN5O/c1-2-3-15-12-11(4-10(14)8-16-12)13(20)17-5-9-6-18-19-7-9/h4,6-8H,2-3,5H2,1H3,(H,15,16)(H,17,20)(H,18,19)
InChIKeyGLVJBUOSPDFZEK-UHFFFAOYSA-N
XLogP2.32
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174433
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide (CID 62178513) is 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GLVJBUOSPDFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-2-3-15-12-11(4-10(14)8-16-12)13(20)17-5-9-6-18-19-7-9/h4,6-8H,2-3,5H2,1H3,(H,15,16)(H,17,20)(H,18,19).
What are the key properties of 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide?
5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62178513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).