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

C15H21N3O3 — CID 119362402

IUPAC3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-17(11-7-13(19)20)15(21)12-6-5-8-16-14(12)18-9-3-2-4-10-18/h5-6,8H,2-4,7,9-11H2,1H3,(H,19,20)
InChIKeyCBZZWBIXVQSEFG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.62
Rot. Bonds5

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

3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119362402) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID119362402
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-17(11-7-13(19)20)15(21)12-6-5-8-16-14(12)18-9-3-2-4-10-18/h5-6,8H,2-4,7,9-11H2,1H3,(H,19,20)
InChIKeyCBZZWBIXVQSEFG-UHFFFAOYSA-N
XLogP1.62
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid (CID 119362402) is 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cccnc1N1CCCCC1.
What is the InChIKey of 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is CBZZWBIXVQSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(11-7-13(19)20)15(21)12-6-5-8-16-14(12)18-9-3-2-4-10-18/h5-6,8H,2-4,7,9-11H2,1H3,(H,19,20).
What are the key properties of 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid?
3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119362402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).