1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid

C13H17N3O3 — CID 104595801

IUPAC1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1ncccc1C(N)=O
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)6-2-3-8-16(13)11-9(10(14)17)5-4-7-15-11/h4-5,7H,2-3,6,8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyWGIRXXZOLDEOQN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid

1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595801) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595801
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1ncccc1C(N)=O
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)6-2-3-8-16(13)11-9(10(14)17)5-4-7-15-11/h4-5,7H,2-3,6,8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyWGIRXXZOLDEOQN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595845
2-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-2-carboxylic acid
CID 103385168
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70755771
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 126770760
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657909
1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595846
8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56884605
1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 106536199
2-(3-methylmorpholin-4-yl)pyridine-3-carboxamide
CID 155353856

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid (CID 104595801) is 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1c1ncccc1C(N)=O.
What is the InChIKey of 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is WGIRXXZOLDEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(12(18)19)6-2-3-8-16(13)11-9(10(14)17)5-4-7-15-11/h4-5,7H,2-3,6,8H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).