2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile

C18H21N5O — CID 137269976

IUPAC2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCC1CC(c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)NN1
InChIInChI=1S/C18H21N5O/c1-3-12-8-15(23-22-12)16-10(2)17(21-18(20)14(16)9-19)11-4-6-13(24)7-5-11/h4-7,12,15,22-24H,3,8H2,1-2H3,(H2,20,21)
InChIKeyHWJJVIUZCYHBQU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile

2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 137269976) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID137269976
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCC1CC(c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)NN1
InChIInChI=1S/C18H21N5O/c1-3-12-8-15(23-22-12)16-10(2)17(21-18(20)14(16)9-19)11-4-6-13(24)7-5-11/h4-7,12,15,22-24H,3,8H2,1-2H3,(H2,20,21)
InChIKeyHWJJVIUZCYHBQU-UHFFFAOYSA-N
XLogP2.53
TPSA106.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile
CID 169411353
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 136642954
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
CID 171707452
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
methyl 4-[2-amino-6-(4-chlorophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3315540
2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3343274
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile (CID 137269976) is 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile is CCC1CC(c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)NN1.
What is the InChIKey of 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is HWJJVIUZCYHBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-12-8-15(23-22-12)16-10(2)17(21-18(20)14(16)9-19)11-4-6-13(24)7-5-11/h4-7,12,15,22-24H,3,8H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 137269976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).