5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile

C12H14N6 — CID 107462194

IUPAC5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
SMILESCCc1nn(C)cc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C12H14N6/c1-3-10-11(7-18(2)17-10)16-12-8(5-13)4-9(14)6-15-12/h4,6-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyNOKXXCLITARUSU-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.57
Rot. Bonds3

About 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile

5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile (PubChem CID 107462194) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
PubChem CID107462194
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
SMILESCCc1nn(C)cc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C12H14N6/c1-3-10-11(7-18(2)17-10)16-12-8(5-13)4-9(14)6-15-12/h4,6-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyNOKXXCLITARUSU-UHFFFAOYSA-N
XLogP1.57
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 103908152
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 112668216
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 103908160
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile (CID 107462194) is 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile is CCc1nn(C)cc1Nc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile?
The InChIKey is NOKXXCLITARUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-3-10-11(7-18(2)17-10)16-12-8(5-13)4-9(14)6-15-12/h4,6-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile?
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 107462194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).