2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile

C20H23N3O2 — CID 95191769

IUPAC2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C20H23N3O2/c1-12-17(13-5-4-6-15(24)9-13)16(11-21)19(22)23-18(12)14-7-8-25-20(2,3)10-14/h4-6,9,14,24H,7-8,10H2,1-3H3,(H2,22,23)/t14-/m1/s1
InChIKeySIQMEWZIZAPALN-CQSZACIVSA-N
MW337.42 g/mol
LogP3.89
Rot. Bonds2

About 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile

2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 95191769) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID95191769
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C20H23N3O2/c1-12-17(13-5-4-6-15(24)9-13)16(11-21)19(22)23-18(12)14-7-8-25-20(2,3)10-14/h4-6,9,14,24H,7-8,10H2,1-3H3,(H2,22,23)/t14-/m1/s1
InChIKeySIQMEWZIZAPALN-CQSZACIVSA-N
XLogP3.89
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
CID 95195392
3-(2,2-dimethyloxan-4-yl)phenol
CID 155395042
2-amino-4-[(4R)-2,2-dimethyloxan-4-yl]-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 95560938
2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 95558662
2-amino-4-(3-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82119478
2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile
CID 157318156
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-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile
CID 95553294
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 2268937
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile (CID 95191769) is 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile is Cc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cccc(O)c1.
What is the InChIKey of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is SIQMEWZIZAPALN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-17(13-5-4-6-15(24)9-13)16(11-21)19(22)23-18(12)14-7-8-25-20(2,3)10-14/h4-6,9,14,24H,7-8,10H2,1-3H3,(H2,22,23)/t14-/m1/s1.
What are the key properties of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 95191769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).