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

C18H20ClN3 — CID 882406

IUPAC2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
SMILESCC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C
InChIInChI=1S/C18H20ClN3/c1-4-11(2)9-16-12(3)17(14(10-20)18(21)22-16)13-7-5-6-8-15(13)19/h5-8,11H,4,9H2,1-3H3,(H2,21,22)/t11-/m1/s1
InChIKeyVOGHVICLQXVGEL-LLVKDONJSA-N
MW313.83 g/mol
LogP4.75
Rot. Bonds4

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

2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile (PubChem CID 882406) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
PubChem CID882406
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
SMILESCC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C
InChIInChI=1S/C18H20ClN3/c1-4-11(2)9-16-12(3)17(14(10-20)18(21)22-16)13-7-5-6-8-15(13)19/h5-8,11H,4,9H2,1-3H3,(H2,21,22)/t11-/m1/s1
InChIKeyVOGHVICLQXVGEL-LLVKDONJSA-N
XLogP4.75
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridin-1-ium-3-carbonitrile
CID 7324662
2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
CID 882962
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 883053
2-amino-4-(2-chlorophenyl)benzo[h]quinoline-3-carbonitrile
CID 16681031
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634661
2-amino-4-(2,4-dimethylphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634508
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634977
2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 3418568
3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
CID 51348276

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile (CID 882406) is 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile is CC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile?
The InChIKey is VOGHVICLQXVGEL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-4-11(2)9-16-12(3)17(14(10-20)18(21)22-16)13-7-5-6-8-15(13)19/h5-8,11H,4,9H2,1-3H3,(H2,21,22)/t11-/m1/s1.
What are the key properties of 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile has a molecular weight of 313.83 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile is sourced from PubChem (CID 882406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).