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

C9H9N3O2 — CID 64589954

IUPACmethyl 2-[(6-cyano-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1cccc(C#N)n1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)6-11-8-4-2-3-7(5-10)12-8/h2-4H,6H2,1H3,(H,11,12)
InChIKeyBCKINBBVXMZHHP-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.54
Rot. Bonds3

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

methyl 2-[(6-cyano-2-pyridinyl)amino]acetate (PubChem CID 64589954) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 2-[(6-cyano-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-cyano-2-pyridinyl)amino]acetate
PubChem CID64589954
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 2-[(6-cyano-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1cccc(C#N)n1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)6-11-8-4-2-3-7(5-10)12-8/h2-4H,6H2,1H3,(H,11,12)
InChIKeyBCKINBBVXMZHHP-UHFFFAOYSA-N
XLogP0.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
CID 133416630
methyl 4-[4-[(6-cyano-2-pyridinyl)amino]phenoxy]butanoate
CID 133392532
methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79798018
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82684140
3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid
CID 64590334

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyano-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(6-cyano-2-pyridinyl)amino]acetate (CID 64589954) is methyl 2-[(6-cyano-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-cyano-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-cyano-2-pyridinyl)amino]acetate is COC(=O)CNc1cccc(C#N)n1.
What is the InChIKey of methyl 2-[(6-cyano-2-pyridinyl)amino]acetate?
The InChIKey is BCKINBBVXMZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)6-11-8-4-2-3-7(5-10)12-8/h2-4H,6H2,1H3,(H,11,12).
What are the key properties of methyl 2-[(6-cyano-2-pyridinyl)amino]acetate?
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate has a molecular weight of 191.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-cyano-2-pyridinyl)amino]acetate is sourced from PubChem (CID 64589954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).