2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile

C18H15ClN4 — CID 3319637

IUPAC2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1cccn1C
InChIInChI=1S/C18H15ClN4/c1-11-16(15-4-3-9-23(15)2)14(10-20)18(21)22-17(11)12-5-7-13(19)8-6-12/h3-9H,1-2H3,(H2,21,22)
InChIKeyNUDQXZRVHZNEIZ-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.17
Rot. Bonds2

About 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile

2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 3319637) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID3319637
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC Name2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1cccn1C
InChIInChI=1S/C18H15ClN4/c1-11-16(15-4-3-9-23(15)2)14(10-20)18(21)22-17(11)12-5-7-13(19)8-6-12/h3-9H,1-2H3,(H2,21,22)
InChIKeyNUDQXZRVHZNEIZ-UHFFFAOYSA-N
XLogP4.17
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
methyl 4-[2-amino-6-(4-chlorophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3315540
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-4-(2-fluorophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172789
2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3324150
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326017

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile (CID 3319637) is 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1cccn1C.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is NUDQXZRVHZNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c1-11-16(15-4-3-9-23(15)2)14(10-20)18(21)22-17(11)12-5-7-13(19)8-6-12/h3-9H,1-2H3,(H2,21,22).
What are the key properties of 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 322.80 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)-5-methyl-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3319637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).