2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid

C13H17N3O3 — CID 119346290

IUPAC2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C13H17N3O3/c1-15(9-11(17)18)13(19)10-5-4-6-14-12(10)16-7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,17,18)
InChIKeyZTNLASDEHBJSPZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.84
Rot. Bonds4

About 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid

2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 119346290) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
PubChem CID119346290
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C13H17N3O3/c1-15(9-11(17)18)13(19)10-5-4-6-14-12(10)16-7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,17,18)
InChIKeyZTNLASDEHBJSPZ-UHFFFAOYSA-N
XLogP0.84
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119362402
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119654497
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid (CID 119346290) is 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cccnc1N1CCCC1.
What is the InChIKey of 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is ZTNLASDEHBJSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(9-11(17)18)13(19)10-5-4-6-14-12(10)16-7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid?
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119346290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).