methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate

C11H13N3O2 — CID 114765934

IUPACmethyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1cc(C#N)cc(C)n1
InChIInChI=1S/C11H13N3O2/c1-8-5-9(7-12)6-10(14-8)13-4-3-11(15)16-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUKKRMHVTGGKVAX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate

methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate (PubChem CID 114765934) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
PubChem CID114765934
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1cc(C#N)cc(C)n1
InChIInChI=1S/C11H13N3O2/c1-8-5-9(7-12)6-10(14-8)13-4-3-11(15)16-2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyUKKRMHVTGGKVAX-UHFFFAOYSA-N
XLogP1.24
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
CID 114766558
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
CID 114765429
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
methyl 3-(4-cyanoanilino)propanoate
CID 43243076
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate (CID 114765934) is methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate is COC(=O)CCNc1cc(C#N)cc(C)n1.
What is the InChIKey of methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate?
The InChIKey is UKKRMHVTGGKVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-5-9(7-12)6-10(14-8)13-4-3-11(15)16-2/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate?
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 114765934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).