5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C14H19N3O3 — CID 107068397

IUPAC5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCCNC1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9-3-2-6-15-12(9)13(18)17-8-10-4-5-11(14(19)20)16-7-10/h4-5,7,9,12,15H,2-3,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYKQBIXFTCNOODQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.78
Rot. Bonds4

About 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 107068397) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID107068397
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCCNC1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9-3-2-6-15-12(9)13(18)17-8-10-4-5-11(14(19)20)16-7-10/h4-5,7,9,12,15H,2-3,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYKQBIXFTCNOODQ-UHFFFAOYSA-N
XLogP0.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 107068180
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
CID 107067835
5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100617
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 107068397) is 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is CC1CCCNC1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is YKQBIXFTCNOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-2-6-15-12(9)13(18)17-8-10-4-5-11(14(19)20)16-7-10/h4-5,7,9,12,15H,2-3,6,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107068397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).