2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile

C19H25N5O — CID 95195392

IUPAC2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
SMILESCCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1
InChIInChI=1S/C19H25N5O/c1-5-24-11-14(10-22-24)16-12(2)17(23-18(21)15(16)9-20)13-6-7-25-19(3,4)8-13/h10-11,13H,5-8H2,1-4H3,(H2,21,23)/t13-/m1/s1
InChIKeyCJSGJYYNQOCRCG-CYBMUJFWSA-N
MW339.44 g/mol
LogP3.40
Rot. Bonds3

About 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile

2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 95195392) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
PubChem CID95195392
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
SMILESCCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1
InChIInChI=1S/C19H25N5O/c1-5-24-11-14(10-22-24)16-12(2)17(23-18(21)15(16)9-20)13-6-7-25-19(3,4)8-13/h10-11,13H,5-8H2,1-4H3,(H2,21,23)/t13-/m1/s1
InChIKeyCJSGJYYNQOCRCG-CYBMUJFWSA-N
XLogP3.40
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile (CID 95195392) is 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile is CCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1.
What is the InChIKey of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is CJSGJYYNQOCRCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-24-11-14(10-22-24)16-12(2)17(23-18(21)15(16)9-20)13-6-7-25-19(3,4)8-13/h10-11,13H,5-8H2,1-4H3,(H2,21,23)/t13-/m1/s1.
What are the key properties of 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile?
2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-ethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 95195392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).