2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile

C22H18N4O — CID 157318156

IUPAC2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile
SMILESCC(Cc1nc(N)c(C#N)c(-c2cccc(O)c2)c1C#N)c1ccccc1
InChIInChI=1S/C22H18N4O/c1-14(15-6-3-2-4-7-15)10-20-18(12-23)21(19(13-24)22(25)26-20)16-8-5-9-17(27)11-16/h2-9,11,14,27H,10H2,1H3,(H2,25,26)
InChIKeyBDVSVRQMDLVKIP-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.13
Rot. Bonds4

About 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile

2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile (PubChem CID 157318156) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile
PubChem CID157318156
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile
SMILESCC(Cc1nc(N)c(C#N)c(-c2cccc(O)c2)c1C#N)c1ccccc1
InChIInChI=1S/C22H18N4O/c1-14(15-6-3-2-4-7-15)10-20-18(12-23)21(19(13-24)22(25)26-20)16-8-5-9-17(27)11-16/h2-9,11,14,27H,10H2,1H3,(H2,25,26)
InChIKeyBDVSVRQMDLVKIP-UHFFFAOYSA-N
XLogP4.13
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)-2-pyridinyl]sulfanyl]acetate
CID 58739832
5,6-diamino-4-(3-hydroxyphenyl)-2-(2-hydroxypropylsulfanyl)pyridine-3-carbonitrile
CID 71027837
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
2-amino-4-(3-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82119478
2-amino-6-[2-(3-chloro-5-hydroxyphenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 142055147
2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 58739970
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 28621968
2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 2268937
2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633633
2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
CID 95191769
2-amino-4-[3-(3-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393913

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile (CID 157318156) is 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile is CC(Cc1nc(N)c(C#N)c(-c2cccc(O)c2)c1C#N)c1ccccc1.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile?
The InChIKey is BDVSVRQMDLVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14(15-6-3-2-4-7-15)10-20-18(12-23)21(19(13-24)22(25)26-20)16-8-5-9-17(27)11-16/h2-9,11,14,27H,10H2,1H3,(H2,25,26).
What are the key properties of 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile?
2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 157318156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).