6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile

C12H13N5 — CID 82873619

IUPAC6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C12H13N5/c1-9-3-4-10(7-13)12(15-9)14-8-11-5-6-17(2)16-11/h3-6H,8H2,1-2H3,(H,14,15)
InChIKeyFWYAWEKLTKHGNG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.61
Rot. Bonds3

About 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile

6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 82873619) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
PubChem CID82873619
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C12H13N5/c1-9-3-4-10(7-13)12(15-9)14-8-11-5-6-17(2)16-11/h3-6H,8H2,1-2H3,(H,14,15)
InChIKeyFWYAWEKLTKHGNG-UHFFFAOYSA-N
XLogP1.61
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 82865972
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 82873632
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 82873932
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
6-methyl-2-(octylamino)pyridine-3-carbonitrile
CID 113337282

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile (CID 82873619) is 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCc2ccn(C)n2)n1.
What is the InChIKey of 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is FWYAWEKLTKHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-9-3-4-10(7-13)12(15-9)14-8-11-5-6-17(2)16-11/h3-6H,8H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile?
6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 82873619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).