N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide

C13H14BrN5O — CID 107375986

IUPACN-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ncccc2Br)cn1
InChIInChI=1S/C13H14BrN5O/c1-2-5-15-11-8-17-10(7-18-11)13(20)19-12-9(14)4-3-6-16-12/h3-4,6-8H,2,5H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyQDGANNHMQNSTAK-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.71
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide

N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107375986) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107375986
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC NameN-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ncccc2Br)cn1
InChIInChI=1S/C13H14BrN5O/c1-2-5-15-11-8-17-10(7-18-11)13(20)19-12-9(14)4-3-6-16-12/h3-4,6-8H,2,5H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyQDGANNHMQNSTAK-UHFFFAOYSA-N
XLogP2.71
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376425
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
5-(propylamino)-N-(1-pyridin-3-ylethyl)pyrazine-2-carboxamide
CID 107374495
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107375986) is N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2ncccc2Br)cn1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is QDGANNHMQNSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-2-5-15-11-8-17-10(7-18-11)13(20)19-12-9(14)4-3-6-16-12/h3-4,6-8H,2,5H2,1H3,(H,15,18)(H,16,19,20).
What are the key properties of N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).