4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid

C13H17N3O3 — CID 54988866

IUPAC4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCC(C(N)=O)CN1c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H17N3O3/c1-8-2-3-9(12(14)17)7-16(8)10-4-5-15-11(6-10)13(18)19/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyCSUNBKMYZHAESJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds3

About 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid

4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 54988866) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID54988866
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCC(C(N)=O)CN1c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H17N3O3/c1-8-2-3-9(12(14)17)7-16(8)10-4-5-15-11(6-10)13(18)19/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyCSUNBKMYZHAESJ-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 54988866) is 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid is CC1CCC(C(N)=O)CN1c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CSUNBKMYZHAESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-2-3-9(12(14)17)7-16(8)10-4-5-15-11(6-10)13(18)19/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 54988866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).