2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile

C13H15N5 — CID 114766602

IUPAC2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCCn2cccn2)n1
InChIInChI=1S/C13H15N5/c1-11-8-12(10-14)9-13(17-11)15-4-2-6-18-7-3-5-16-18/h3,5,7-9H,2,4,6H2,1H3,(H,15,17)
InChIKeySROVBDFZYDRJEL-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile

2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile (PubChem CID 114766602) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
PubChem CID114766602
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCCn2cccn2)n1
InChIInChI=1S/C13H15N5/c1-11-8-12(10-14)9-13(17-11)15-4-2-6-18-7-3-5-16-18/h3,5,7-9H,2,4,6H2,1H3,(H,15,17)
InChIKeySROVBDFZYDRJEL-UHFFFAOYSA-N
XLogP1.96
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
2-methyl-6-(pyrrol-1-ylamino)pyridine-4-carbonitrile
CID 114769768
4-methyl-3-(2-pyrazol-1-ylethoxy)benzonitrile
CID 113256433
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610
6-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidine-4-carbothioamide
CID 107548008
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile (CID 114766602) is 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile is Cc1cc(C#N)cc(NCCCn2cccn2)n1.
What is the InChIKey of 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile?
The InChIKey is SROVBDFZYDRJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-11-8-12(10-14)9-13(17-11)15-4-2-6-18-7-3-5-16-18/h3,5,7-9H,2,4,6H2,1H3,(H,15,17).
What are the key properties of 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile?
2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114766602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).