5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile

C13H11ClN4O — CID 107620892

IUPAC5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1cc(Nc2ncc(N)cc2C#N)ccc1Cl
InChIInChI=1S/C13H11ClN4O/c1-19-12-5-10(2-3-11(12)14)18-13-8(6-15)4-9(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyAQGXCQABBHABOR-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.94
Rot. Bonds3

About 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile

5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile (PubChem CID 107620892) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
PubChem CID107620892
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1cc(Nc2ncc(N)cc2C#N)ccc1Cl
InChIInChI=1S/C13H11ClN4O/c1-19-12-5-10(2-3-11(12)14)18-13-8(6-15)4-9(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeyAQGXCQABBHABOR-UHFFFAOYSA-N
XLogP2.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004408
4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
CID 107621927
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
CID 54860748
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412675

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile (CID 107620892) is 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile is COc1cc(Nc2ncc(N)cc2C#N)ccc1Cl.
What is the InChIKey of 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile?
The InChIKey is AQGXCQABBHABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-12-5-10(2-3-11(12)14)18-13-8(6-15)4-9(16)7-17-13/h2-5,7H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile?
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 107620892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).