5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide

C12H10Cl2N4O — CID 62847930

IUPAC5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cnc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H10Cl2N4O/c1-7-3-16-9(5-15-7)6-18-12(19)8-2-10(13)11(14)17-4-8/h2-5H,6H2,1H3,(H,18,19)
InChIKeyFQCQGVVJXNNBRZ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.42
Rot. Bonds3

About 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 62847930) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID62847930
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cnc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H10Cl2N4O/c1-7-3-16-9(5-15-7)6-18-12(19)8-2-10(13)11(14)17-4-8/h2-5H,6H2,1H3,(H,18,19)
InChIKeyFQCQGVVJXNNBRZ-UHFFFAOYSA-N
XLogP2.42
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62840708
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
methyl 2-chloro-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]benzoate
CID 91357324
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 113379230
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide (CID 62847930) is 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide is Cc1cnc(CNC(=O)c2cnc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is FQCQGVVJXNNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c1-7-3-16-9(5-15-7)6-18-12(19)8-2-10(13)11(14)17-4-8/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62847930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).