2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile

C19H17N5O2 — CID 56866597

IUPAC2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1nn(C)cc1-c1c(C)c(-c2ccc3c(c2)OCO3)nc(N)c1C#N
InChIInChI=1S/C19H17N5O2/c1-10-17(14-8-24(3)23-11(14)2)13(7-20)19(21)22-18(10)12-4-5-15-16(6-12)26-9-25-15/h4-6,8H,9H2,1-3H3,(H2,21,22)
InChIKeyZMFYSKIBZORHNC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.95
Rot. Bonds2

About 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile

2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 56866597) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
PubChem CID56866597
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1nn(C)cc1-c1c(C)c(-c2ccc3c(c2)OCO3)nc(N)c1C#N
InChIInChI=1S/C19H17N5O2/c1-10-17(14-8-24(3)23-11(14)2)13(7-20)19(21)22-18(10)12-4-5-15-16(6-12)26-9-25-15/h4-6,8H,9H2,1-3H3,(H2,21,22)
InChIKeyZMFYSKIBZORHNC-UHFFFAOYSA-N
XLogP2.95
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(1,3-benzodioxol-5-yl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
CID 171708251
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
CID 5120562
7-amino-5-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 20786963
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carbonitrile
CID 1102077
butan-2-yl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]propanoate
CID 12968630
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-4-(2-fluorophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172789
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile
CID 5344235

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile (CID 56866597) is 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile is Cc1nn(C)cc1-c1c(C)c(-c2ccc3c(c2)OCO3)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is ZMFYSKIBZORHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-10-17(14-8-24(3)23-11(14)2)13(7-20)19(21)22-18(10)12-4-5-15-16(6-12)26-9-25-15/h4-6,8H,9H2,1-3H3,(H2,21,22).
What are the key properties of 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 56866597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).