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

C16H13N5O — CID 169411353

IUPAC2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccn[nH]1
InChIInChI=1S/C16H13N5O/c1-9-14(13-6-7-19-21-13)12(8-17)16(18)20-15(9)10-2-4-11(22)5-3-10/h2-7,22H,1H3,(H2,18,20)(H,19,21)
InChIKeyQSVJMPQAYCVXAF-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.61
Rot. Bonds2

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

2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile (PubChem CID 169411353) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile
PubChem CID169411353
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccn[nH]1
InChIInChI=1S/C16H13N5O/c1-9-14(13-6-7-19-21-13)12(8-17)16(18)20-15(9)10-2-4-11(22)5-3-10/h2-7,22H,1H3,(H2,18,20)(H,19,21)
InChIKeyQSVJMPQAYCVXAF-UHFFFAOYSA-N
XLogP2.61
TPSA111.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile (CID 169411353) is 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile is Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccn[nH]1.
What is the InChIKey of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is QSVJMPQAYCVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-9-14(13-6-7-19-21-13)12(8-17)16(18)20-15(9)10-2-4-11(22)5-3-10/h2-7,22H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile?
2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 169411353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).