6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 106903916

IUPAC6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESNC(=O)C1CCCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C13H17N3O3/c14-12(17)9-3-2-6-16(7-9)8-10-4-1-5-11(15-10)13(18)19/h1,4-5,9H,2-3,6-8H2,(H2,14,17)(H,18,19)
InChIKeyIKCKJKLBZWPWLT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.48
Rot. Bonds4

About 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903916) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106903916
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESNC(=O)C1CCCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C13H17N3O3/c14-12(17)9-3-2-6-16(7-9)8-10-4-1-5-11(15-10)13(18)19/h1,4-5,9H,2-3,6-8H2,(H2,14,17)(H,18,19)
InChIKeyIKCKJKLBZWPWLT-UHFFFAOYSA-N
XLogP0.48
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 106904012
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 114082462
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 126427464
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268

Frequently Asked Questions

What is the IUPAC name of 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 106903916) is 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is NC(=O)C1CCCN(Cc2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is IKCKJKLBZWPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)9-3-2-6-16(7-9)8-10-4-1-5-11(15-10)13(18)19/h1,4-5,9H,2-3,6-8H2,(H2,14,17)(H,18,19).
What are the key properties of 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).