5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid

C13H16ClN3O3 — CID 114919341

IUPAC5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCNC(=O)C1CCN(c2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C13H16ClN3O3/c1-15-12(18)8-2-4-17(5-3-8)11-6-9(13(19)20)10(14)7-16-11/h6-8H,2-5H2,1H3,(H,15,18)(H,19,20)
InChIKeyJFGOXJJLLQMSME-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid

5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 114919341) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID114919341
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCNC(=O)C1CCN(c2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C13H16ClN3O3/c1-15-12(18)8-2-4-17(5-3-8)11-6-9(13(19)20)10(14)7-16-11/h6-8H,2-5H2,1H3,(H,15,18)(H,19,20)
InChIKeyJFGOXJJLLQMSME-UHFFFAOYSA-N
XLogP1.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
CID 114919701
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
CID 114919529
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919262
1-(5-chloro-4-methyl-2-pyridinyl)-N-cyclohexylpiperidine-4-carboxamide
CID 123365638
1-(6-chloro-1,8-naphthyridin-2-yl)-N-methylpiperidine-4-carboxamide
CID 136568174
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 80637486
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919798
3-chloro-4-[4-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 81151366
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 114919341) is 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid is CNC(=O)C1CCN(c2cc(C(=O)O)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is JFGOXJJLLQMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-15-12(18)8-2-4-17(5-3-8)11-6-9(13(19)20)10(14)7-16-11/h6-8H,2-5H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).