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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Related Compounds

4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
6-methyl-1-(6-propanoyl-3-pyridinyl)piperidine-3-carboxamide
CID 115938958
(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 99857723
3-[4-(5-carbamoyl-2-methylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 76910309
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
CID 107544065
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 102883871
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
CID 114845026
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689
1-(3-amino-6-methyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 81131851
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 114288364
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519

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).