6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid

C26H33N5O3 — CID 129024212

IUPAC6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILES[H]/N=C(/c1c(N2CCC(N3CCOCC3)CC2)cc(C(=O)O)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C26H33N5O3/c27-24(18-5-4-6-18)23-22(31-11-9-20(10-12-31)30-13-15-34-16-14-30)17-21(26(32)33)29-25(23)28-19-7-2-1-3-8-19/h1-3,7-8,17-18,20,27H,4-6,9-16H2,(H,28,29)(H,32,33)/b27-24+
InChIKeySKTBQHCRKLJARG-SOYKGTTHSA-N
MW463.58 g/mol
LogP3.99
Rot. Bonds7

About 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid

6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 129024212) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID129024212
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILES[H]/N=C(/c1c(N2CCC(N3CCOCC3)CC2)cc(C(=O)O)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C26H33N5O3/c27-24(18-5-4-6-18)23-22(31-11-9-20(10-12-31)30-13-15-34-16-14-30)17-21(26(32)33)29-25(23)28-19-7-2-1-3-8-19/h1-3,7-8,17-18,20,27H,4-6,9-16H2,(H,28,29)(H,32,33)/b27-24+
InChIKeySKTBQHCRKLJARG-SOYKGTTHSA-N
XLogP3.99
TPSA101.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-methoxypiperidin-1-yl)pyridine-2-carboxylate
CID 129024037
6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-fluoro-4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 145290461
6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023938
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde
CID 145290023
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 129024316
6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
CID 155030047
5-(cyclobutanecarboximidoyl)-6-[(2-ethoxypyrimidin-4-yl)amino]-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde;methanol
CID 145290649
6-anilino-5-(cyclobutanecarboximidoyl)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]pyridine-2-carboxylic acid
CID 129023897
tert-butyl 5-[3-(cyclobutanecarboximidoyl)-2-(4-fluoroanilino)-6-methoxycarbonyl-4-pyridinyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 145290125
[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
6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid
CID 129023646

Frequently Asked Questions

What is the IUPAC name of 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 129024212) is 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid is [H]/N=C(/c1c(N2CCC(N3CCOCC3)CC2)cc(C(=O)O)nc1Nc1ccccc1)C1CCC1.
What is the InChIKey of 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is SKTBQHCRKLJARG-SOYKGTTHSA-N. The full InChI is InChI=1S/C26H33N5O3/c27-24(18-5-4-6-18)23-22(31-11-9-20(10-12-31)30-13-15-34-16-14-30)17-21(26(32)33)29-25(23)28-19-7-2-1-3-8-19/h1-3,7-8,17-18,20,27H,4-6,9-16H2,(H,28,29)(H,32,33)/b27-24+.
What are the key properties of 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 463.58 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 129024212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).