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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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).