2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid

C14H19N3O3 — CID 119358653

IUPAC2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H19N3O3/c1-10(14(19)20)16(2)13(18)11-5-6-12(15-9-11)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyNPXCIQOBGSLMOZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.23
Rot. Bonds4

About 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid

2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119358653) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID119358653
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H19N3O3/c1-10(14(19)20)16(2)13(18)11-5-6-12(15-9-11)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyNPXCIQOBGSLMOZ-UHFFFAOYSA-N
XLogP1.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
CID 83888261
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
CID 103804135
N-(4-hydroxyphenyl)-N-methyl-6-piperidin-1-ylpyridine-3-carboxamide
CID 84570217
6-(azepan-1-yl)-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 112837376
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid (CID 119358653) is 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is NPXCIQOBGSLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(14(19)20)16(2)13(18)11-5-6-12(15-9-11)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119358653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).