2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile

C15H14ClN3O2 — CID 114765705

IUPAC2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
SMILESCOc1cc(OC)c(Nc2cc(C#N)cc(C)n2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c1-9-4-10(8-17)5-15(18-9)19-12-6-11(16)13(20-2)7-14(12)21-3/h4-7H,1-3H3,(H,18,19)
InChIKeyVCBHIPFEDBZWNC-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.68
Rot. Bonds4

About 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile

2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114765705) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114765705
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
SMILESCOc1cc(OC)c(Nc2cc(C#N)cc(C)n2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c1-9-4-10(8-17)5-15(18-9)19-12-6-11(16)13(20-2)7-14(12)21-3/h4-7H,1-3H3,(H,18,19)
InChIKeyVCBHIPFEDBZWNC-UHFFFAOYSA-N
XLogP3.68
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidin-4-amine
CID 112926765
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928254
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
3-[[4-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112930338

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile (CID 114765705) is 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile is COc1cc(OC)c(Nc2cc(C#N)cc(C)n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is VCBHIPFEDBZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-4-10(8-17)5-15(18-9)19-12-6-11(16)13(20-2)7-14(12)21-3/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile?
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 303.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).