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

C9H12BrN3O — CID 62167210

IUPAC5-bromo-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(N)=O
InChIInChI=1S/C9H12BrN3O/c1-2-3-12-9-7(8(11)14)4-6(10)5-13-9/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyADCOVAOYSHRLTQ-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.76
Rot. Bonds4

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

5-bromo-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62167210) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(propylamino)pyridine-3-carboxamide
PubChem CID62167210
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(N)=O
InChIInChI=1S/C9H12BrN3O/c1-2-3-12-9-7(8(11)14)4-6(10)5-13-9/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyADCOVAOYSHRLTQ-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(propylamino)pyridine-3-carboxamide (CID 62167210) is 5-bromo-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is ADCOVAOYSHRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-2-3-12-9-7(8(11)14)4-6(10)5-13-9/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 5-bromo-2-(propylamino)pyridine-3-carboxamide?
5-bromo-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 258.12 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).