2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile

C15H13Cl2N3 — CID 4634661

IUPAC2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C15H13Cl2N3/c1-3-13-8(2)14(10(7-18)15(19)20-13)9-4-5-11(16)12(17)6-9/h4-6H,3H2,1-2H3,(H2,19,20)
InChIKeyGRYQDXNOGYRWKR-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.38
Rot. Bonds2

About 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile

2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile (PubChem CID 4634661) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
PubChem CID4634661
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C15H13Cl2N3/c1-3-13-8(2)14(10(7-18)15(19)20-13)9-4-5-11(16)12(17)6-9/h4-6H,3H2,1-2H3,(H2,19,20)
InChIKeyGRYQDXNOGYRWKR-UHFFFAOYSA-N
XLogP4.38
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,4-dimethylphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634508
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
CID 882962
2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634975
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 883053
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
CID 882406
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3529548
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3333698

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile (CID 4634661) is 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile is CCc1nc(N)c(C#N)c(-c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
The InChIKey is GRYQDXNOGYRWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-3-13-8(2)14(10(7-18)15(19)20-13)9-4-5-11(16)12(17)6-9/h4-6H,3H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile?
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile has a molecular weight of 306.20 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 4634661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).