ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate

C15H19N3O3 — CID 61007860

IUPACethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C15H19N3O3/c1-4-8-18(10-14(19)21-5-2)15(20)13-7-6-12(9-16)11(3)17-13/h6-7H,4-5,8,10H2,1-3H3
InChIKeyURIDCNVPBMMASO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.68
Rot. Bonds6

About ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate

ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate (PubChem CID 61007860) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
PubChem CID61007860
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C15H19N3O3/c1-4-8-18(10-14(19)21-5-2)15(20)13-7-6-12(9-16)11(3)17-13/h6-7H,4-5,8,10H2,1-3H3
InChIKeyURIDCNVPBMMASO-UHFFFAOYSA-N
XLogP1.68
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
propyl 5-cyano-6-methylpyridine-2-carboxylate
CID 112727103
2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
CID 60829216
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
potassium (5-cyano-6-methylpyridine-2-carbonyl)azanide
CID 171818248
3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
CID 62822089
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 115497491
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
CID 96535435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate (CID 61007860) is ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1ccc(C#N)c(C)n1.
What is the InChIKey of ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate?
The InChIKey is URIDCNVPBMMASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-8-18(10-14(19)21-5-2)15(20)13-7-6-12(9-16)11(3)17-13/h6-7H,4-5,8,10H2,1-3H3.
What are the key properties of ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate?
ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate has a molecular weight of 289.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate is sourced from PubChem (CID 61007860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).