6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid

C24H30N4O3 — CID 129023938

IUPAC6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILES[H]/N=C(/c1c(N2CCCC(COC)C2)cc(C(=O)O)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C24H30N4O3/c1-31-15-16-7-6-12-28(14-16)20-13-19(24(29)30)27-23(26-18-10-3-2-4-11-18)21(20)22(25)17-8-5-9-17/h2-4,10-11,13,16-17,25H,5-9,12,14-15H2,1H3,(H,26,27)(H,29,30)/b25-22+
InChIKeyRLSYDFJYVVJQJH-YYDJUVGSSA-N
MW422.53 g/mol
LogP4.55
Rot. Bonds8

About 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid

6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 129023938) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID129023938
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILES[H]/N=C(/c1c(N2CCCC(COC)C2)cc(C(=O)O)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C24H30N4O3/c1-31-15-16-7-6-12-28(14-16)20-13-19(24(29)30)27-23(26-18-10-3-2-4-11-18)21(20)22(25)17-8-5-9-17/h2-4,10-11,13,16-17,25H,5-9,12,14-15H2,1H3,(H,26,27)(H,29,30)/b25-22+
InChIKeyRLSYDFJYVVJQJH-YYDJUVGSSA-N
XLogP4.55
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]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

5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
CID 155030047
methyl 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-methoxypiperidin-1-yl)pyridine-2-carboxylate
CID 129024037
6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 129024212
6-anilino-5-(cyclobutanecarboximidoyl)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]pyridine-2-carboxylic acid
CID 129023897
ethyl 6-[(2-chloro-6-methyl-4-pyridinyl)amino]-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 129024227
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 106589535
[4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-6-carboxy-3-(cyclobutanecarboximidoyl)-2-pyridinyl]-phenylazanium
CID 145290757
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129024045
4-[4-(2-methoxyethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 129024109
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane
CID 145290098

Frequently Asked Questions

What is the IUPAC name of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 129023938) is 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid is [H]/N=C(/c1c(N2CCCC(COC)C2)cc(C(=O)O)nc1Nc1ccccc1)C1CCC1.
What is the InChIKey of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is RLSYDFJYVVJQJH-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-31-15-16-7-6-12-28(14-16)20-13-19(24(29)30)27-23(26-18-10-3-2-4-11-18)21(20)22(25)17-8-5-9-17/h2-4,10-11,13,16-17,25H,5-9,12,14-15H2,1H3,(H,26,27)(H,29,30)/b25-22+.
What are the key properties of 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 422.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 129023938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).