3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile

C12H10ClN5 — CID 107057587

IUPAC3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cnc(CNc2nccc(C#N)c2Cl)cn1
InChIInChI=1S/C12H10ClN5/c1-8-5-17-10(6-16-8)7-18-12-11(13)9(4-14)2-3-15-12/h2-3,5-6H,7H2,1H3,(H,15,18)
InChIKeyMIYREANMWUIHOA-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.32
Rot. Bonds3

About 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile

3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 107057587) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID107057587
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cnc(CNc2nccc(C#N)c2Cl)cn1
InChIInChI=1S/C12H10ClN5/c1-8-5-17-10(6-16-8)7-18-12-11(13)9(4-14)2-3-15-12/h2-3,5-6H,7H2,1H3,(H,15,18)
InChIKeyMIYREANMWUIHOA-UHFFFAOYSA-N
XLogP2.32
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 82817712
3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
CID 107057764
3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057231
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 63673297
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile
CID 3234751
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
5-[[(3-chloro-4-cyano-2-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 107056526

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile (CID 107057587) is 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile is Cc1cnc(CNc2nccc(C#N)c2Cl)cn1.
What is the InChIKey of 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is MIYREANMWUIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-8-5-17-10(6-16-8)7-18-12-11(13)9(4-14)2-3-15-12/h2-3,5-6H,7H2,1H3,(H,15,18).
What are the key properties of 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).