2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile

C17H15N5O — CID 56746866

IUPAC2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCc1n[nH]c(C)c1-c1cc(-c2cccc(O)c2)nc(N)c1C#N
InChIInChI=1S/C17H15N5O/c1-9-16(10(2)22-21-9)13-7-15(20-17(19)14(13)8-18)11-4-3-5-12(23)6-11/h3-7,23H,1-2H3,(H2,19,20)(H,21,22)
InChIKeyBEEDQOJVSSFJEE-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.92
Rot. Bonds2

About 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile

2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 56746866) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID56746866
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCc1n[nH]c(C)c1-c1cc(-c2cccc(O)c2)nc(N)c1C#N
InChIInChI=1S/C17H15N5O/c1-9-16(10(2)22-21-9)13-7-15(20-17(19)14(13)8-18)11-4-3-5-12(23)6-11/h3-7,23H,1-2H3,(H2,19,20)(H,21,22)
InChIKeyBEEDQOJVSSFJEE-UHFFFAOYSA-N
XLogP2.92
TPSA111.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile (CID 56746866) is 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile is Cc1n[nH]c(C)c1-c1cc(-c2cccc(O)c2)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is BEEDQOJVSSFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-9-16(10(2)22-21-9)13-7-15(20-17(19)14(13)8-18)11-4-3-5-12(23)6-11/h3-7,23H,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56746866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).