4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid

C13H17N3O4 — CID 90818078

IUPAC4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17N3O4/c17-11-2-1-10(8-14-11)12(18)15-7-9-3-5-16(6-4-9)13(19)20/h1-2,8-9H,3-7H2,(H,14,17)(H,15,18)(H,19,20)
InChIKeyZXQHZTPXFCKLNB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.49
Rot. Bonds3

About 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid

4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 90818078) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID90818078
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17N3O4/c17-11-2-1-10(8-14-11)12(18)15-7-9-3-5-16(6-4-9)13(19)20/h1-2,8-9H,3-7H2,(H,14,17)(H,15,18)(H,19,20)
InChIKeyZXQHZTPXFCKLNB-UHFFFAOYSA-N
XLogP0.49
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
4-[[[4-(2,2,2-trifluoro-1-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91475871
4-[[[4-(1-nitrosoethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91480032
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[(1-butanoylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 142177078
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110626385
4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90695043
4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide
CID 58933809

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid (CID 90818078) is 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid is O=C(NCC1CCN(C(=O)O)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is ZXQHZTPXFCKLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11-2-1-10(8-14-11)12(18)15-7-9-3-5-16(6-4-9)13(19)20/h1-2,8-9H,3-7H2,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90818078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).