methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate

C15H13N3O2 — CID 133416630

IUPACmethyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(Nc2cccc(C#N)n2)c1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)9-11-4-2-5-12(8-11)17-14-7-3-6-13(10-16)18-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLLDMWIMHKZBZCJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.41
Rot. Bonds4

About methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate

methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate (PubChem CID 133416630) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
PubChem CID133416630
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(Nc2cccc(C#N)n2)c1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)9-11-4-2-5-12(8-11)17-14-7-3-6-13(10-16)18-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLLDMWIMHKZBZCJ-UHFFFAOYSA-N
XLogP2.41
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
CID 133392674
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
CID 133392722
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
methyl 4-[4-[(6-cyano-2-pyridinyl)amino]phenoxy]butanoate
CID 133392532
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
CID 133392430

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate (CID 133416630) is methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate is COC(=O)Cc1cccc(Nc2cccc(C#N)n2)c1.
What is the InChIKey of methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate?
The InChIKey is LLDMWIMHKZBZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)9-11-4-2-5-12(8-11)17-14-7-3-6-13(10-16)18-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate?
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate has a molecular weight of 267.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate is sourced from PubChem (CID 133416630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).