2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile

C18H21N3 — CID 7289453

IUPAC2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
SMILESCC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C18H21N3/c1-4-12(2)10-16-13(3)17(14-8-6-5-7-9-14)15(11-19)18(20)21-16/h5-9,12H,4,10H2,1-3H3,(H2,20,21)/t12-/m1/s1
InChIKeySOUZOUZONPYKJN-GFCCVEGCSA-N
MW279.39 g/mol
LogP4.10
Rot. Bonds4

About 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile

2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile (PubChem CID 7289453) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
PubChem CID7289453
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
SMILESCC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C18H21N3/c1-4-12(2)10-16-13(3)17(14-8-6-5-7-9-14)15(11-19)18(20)21-16/h5-9,12H,4,10H2,1-3H3,(H2,20,21)/t12-/m1/s1
InChIKeySOUZOUZONPYKJN-GFCCVEGCSA-N
XLogP4.10
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
CID 882962
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
CID 882406
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 883053
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634661
2-amino-4-(3-hydroxyphenyl)-6-(2-phenylpropyl)pyridine-3,5-dicarbonitrile
CID 157318156
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830075
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707
2-amino-4-(2-hydroxyphenyl)-6-methyl-5-phenylpyridine-3-carbonitrile
CID 137127538
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile (CID 7289453) is 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile is CC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2)c1C.
What is the InChIKey of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile?
The InChIKey is SOUZOUZONPYKJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-12(2)10-16-13(3)17(14-8-6-5-7-9-14)15(11-19)18(20)21-16/h5-9,12H,4,10H2,1-3H3,(H2,20,21)/t12-/m1/s1.
What are the key properties of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile?
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile has a molecular weight of 279.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 7289453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).