N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide

C13H14BrN5O — CID 104641633

IUPACN-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cnc(Br)cn2)nc1
InChIInChI=1S/C13H14BrN5O/c1-2-5-15-9-3-4-10(16-6-9)13(20)19-12-8-17-11(14)7-18-12/h3-4,6-8,15H,2,5H2,1H3,(H,18,19,20)
InChIKeyGPMVQTKFAPKUFT-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.71
Rot. Bonds5

About N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide

N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104641633) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104641633
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC NameN-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cnc(Br)cn2)nc1
InChIInChI=1S/C13H14BrN5O/c1-2-5-15-9-3-4-10(16-6-9)13(20)19-12-8-17-11(14)7-18-12/h3-4,6-8,15H,2,5H2,1H3,(H,18,19,20)
InChIKeyGPMVQTKFAPKUFT-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

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Related Compounds

N-(5-bromopyrazin-2-yl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641632
5-amino-N-(5-bromopyrazin-2-yl)pyridine-2-carboxamide
CID 81316335
N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641936
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921
N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641911
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide (CID 104641633) is N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2cnc(Br)cn2)nc1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is GPMVQTKFAPKUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-2-5-15-9-3-4-10(16-6-9)13(20)19-12-8-17-11(14)7-18-12/h3-4,6-8,15H,2,5H2,1H3,(H,18,19,20).
What are the key properties of N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide?
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-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-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).