5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid

C16H24N4O3 — CID 167835995

IUPAC5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid
SMILESCN(C)c1cccc(CNC(=O)C2CCC(C(=O)O)N(C)C2)n1
InChIInChI=1S/C16H24N4O3/c1-19(2)14-6-4-5-12(18-14)9-17-15(21)11-7-8-13(16(22)23)20(3)10-11/h4-6,11,13H,7-10H2,1-3H3,(H,17,21)(H,22,23)
InChIKeyZNGBDTAZGZHNTG-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.56
Rot. Bonds5

About 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid

5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid (PubChem CID 167835995) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid
PubChem CID167835995
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid
SMILESCN(C)c1cccc(CNC(=O)C2CCC(C(=O)O)N(C)C2)n1
InChIInChI=1S/C16H24N4O3/c1-19(2)14-6-4-5-12(18-14)9-17-15(21)11-7-8-13(16(22)23)20(3)10-11/h4-6,11,13H,7-10H2,1-3H3,(H,17,21)(H,22,23)
InChIKeyZNGBDTAZGZHNTG-UHFFFAOYSA-N
XLogP0.56
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560663
1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
CID 138997554
(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640192
cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066365
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
CID 138993707
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 97242533
1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 146122561
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 109398549
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 75438164
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 127714121
4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid (CID 167835995) is 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid is CN(C)c1cccc(CNC(=O)C2CCC(C(=O)O)N(C)C2)n1.
What is the InChIKey of 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid?
The InChIKey is ZNGBDTAZGZHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)14-6-4-5-12(18-14)9-17-15(21)11-7-8-13(16(22)23)20(3)10-11/h4-6,11,13H,7-10H2,1-3H3,(H,17,21)(H,22,23).
What are the key properties of 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid?
5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 167835995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).