6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid

C23H23N5O3 — CID 129023646

IUPAC6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)nc2)cc(C(=O)O)nc1Nc1ccccc1
InChIInChI=1S/C23H23N5O3/c1-15(24)21-18(16-7-8-20(25-14-16)28-9-11-31-12-10-28)13-19(23(29)30)27-22(21)26-17-5-3-2-4-6-17/h2-8,13-14,24H,9-12H2,1H3,(H,26,27)(H,29,30)/b24-15+
InChIKeyAFLIUONBWOEGNX-BUVRLJJBSA-N
MW417.47 g/mol
LogP3.81
Rot. Bonds6

About 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid

6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 129023646) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid
PubChem CID129023646
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)nc2)cc(C(=O)O)nc1Nc1ccccc1
InChIInChI=1S/C23H23N5O3/c1-15(24)21-18(16-7-8-20(25-14-16)28-9-11-31-12-10-28)13-19(23(29)30)27-22(21)26-17-5-3-2-4-6-17/h2-8,13-14,24H,9-12H2,1H3,(H,26,27)(H,29,30)/b24-15+
InChIKeyAFLIUONBWOEGNX-BUVRLJJBSA-N
XLogP3.81
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.81
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

6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
CID 145290475
6-anilino-4-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-ethanimidoylpyridine-2-carboxylic acid
CID 129024070
6-anilino-4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-5-(3-methylcyclobutanecarboximidoyl)pyridine-2-carboxylic acid
CID 145290543
6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid
CID 145290171
6-anilino-5-[C-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxycarbonimidoyl]-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
CID 129033704
ethyl 6-anilino-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-ethanimidoylpyridine-2-carboxylate
CID 129033707
6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 129024212
ethyl 6-anilino-5-(3,3-difluorocyclobutanecarboximidoyl)-4-[6-[4-(methyliminomethyl)piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxylate
CID 162605284
5-(6-morpholin-4-yl-3-pyridinyl)-N-phenylpyridine-3-carboxamide
CID 117089330
6-(cyclohexylamino)-5-(2-methylpropanimidoyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-2-carboxylic acid
CID 129023727
ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-5-(2-methylpropanimidoyl)-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylate
CID 129023687
4-[2-(4-cyanopiperidin-1-yl)pyrimidin-5-yl]-6-[3-(dimethylamino)anilino]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 145290638

Frequently Asked Questions

What is the IUPAC name of 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid (CID 129023646) is 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid is [H]/N=C(\C)c1c(-c2ccc(N3CCOCC3)nc2)cc(C(=O)O)nc1Nc1ccccc1.
What is the InChIKey of 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is AFLIUONBWOEGNX-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15(24)21-18(16-7-8-20(25-14-16)28-9-11-31-12-10-28)13-19(23(29)30)27-22(21)26-17-5-3-2-4-6-17/h2-8,13-14,24H,9-12H2,1H3,(H,26,27)(H,29,30)/b24-15+.
What are the key properties of 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid?
6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid has a molecular weight of 417.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 129023646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).