6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid

C14H19N3O3 — CID 62546139

IUPAC6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCCC(N(C)C(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H19N3O3/c1-16-8-4-5-10(9-16)17(2)13(18)11-6-3-7-12(15-11)14(19)20/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,19,20)
InChIKeyKKVAFQGLUUKJNS-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.95
Rot. Bonds3

About 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid

6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 62546139) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID62546139
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCCC(N(C)C(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H19N3O3/c1-16-8-4-5-10(9-16)17(2)13(18)11-6-3-7-12(15-11)14(19)20/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,19,20)
InChIKeyKKVAFQGLUUKJNS-UHFFFAOYSA-N
XLogP0.95
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
1-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)triazole-4-carboxamide
CID 79315997
6-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404042
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069827
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid (CID 62546139) is 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid is CN1CCCC(N(C)C(=O)c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is KKVAFQGLUUKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-8-4-5-10(9-16)17(2)13(18)11-6-3-7-12(15-11)14(19)20/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 62546139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).