6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

C15H21N3O3 — CID 63235015

IUPAC6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C15H21N3O3/c1-17-8-6-11(7-9-17)10-18(2)14(19)12-4-3-5-13(16-12)15(20)21/h3-5,11H,6-10H2,1-2H3,(H,20,21)
InChIKeyBQPHWAZHIPQODB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.19
Rot. Bonds4

About 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 63235015) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID63235015
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C15H21N3O3/c1-17-8-6-11(7-9-17)10-18(2)14(19)12-4-3-5-13(16-12)15(20)21/h3-5,11H,6-10H2,1-2H3,(H,20,21)
InChIKeyBQPHWAZHIPQODB-UHFFFAOYSA-N
XLogP1.19
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
N-(cyclopropylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62238964
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
N-(cyclopropylmethyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236607
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 81393986

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 63235015) is 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is CN1CCC(CN(C)C(=O)c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BQPHWAZHIPQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-8-6-11(7-9-17)10-18(2)14(19)12-4-3-5-13(16-12)15(20)21/h3-5,11H,6-10H2,1-2H3,(H,20,21).
What are the key properties of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63235015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).