methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate

C12H16N2O3 — CID 55005855

IUPACmethyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cccnc1
InChIInChI=1S/C12H16N2O3/c1-3-7-14(9-11(15)17-2)12(16)10-5-4-6-13-8-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyAYSVZCSRFNJTMW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.11
Rot. Bonds5

About methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate

methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate (PubChem CID 55005855) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
PubChem CID55005855
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cccnc1
InChIInChI=1S/C12H16N2O3/c1-3-7-14(9-11(15)17-2)12(16)10-5-4-6-13-8-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyAYSVZCSRFNJTMW-UHFFFAOYSA-N
XLogP1.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
CID 18735846
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
CID 95480071
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
CID 22254315
CID 22254315

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate (CID 55005855) is methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate is CCCN(CC(=O)OC)C(=O)c1cccnc1.
What is the InChIKey of methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate?
The InChIKey is AYSVZCSRFNJTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-7-14(9-11(15)17-2)12(16)10-5-4-6-13-8-10/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate?
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate has a molecular weight of 236.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 55005855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).