2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide

C22H23N5O — CID 89369436

IUPAC2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide
SMILES[H]/N=C(\C)c1c(C(=O)Nc2c(C)cncc2C)cc(C)nc1Nc1ccccc1
InChIInChI=1S/C22H23N5O/c1-13-11-24-12-14(2)20(13)27-22(28)18-10-15(3)25-21(19(18)16(4)23)26-17-8-6-5-7-9-17/h5-12,23H,1-4H3,(H,25,26)(H,24,27,28)/b23-16+
InChIKeyGSCRDHVJBWYICL-XQNSMLJCSA-N
MW373.46 g/mol
LogP4.79
Rot. Bonds5

About 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide

2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide (PubChem CID 89369436) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide
PubChem CID89369436
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide
SMILES[H]/N=C(\C)c1c(C(=O)Nc2c(C)cncc2C)cc(C)nc1Nc1ccccc1
InChIInChI=1S/C22H23N5O/c1-13-11-24-12-14(2)20(13)27-22(28)18-10-15(3)25-21(19(18)16(4)23)26-17-8-6-5-7-9-17/h5-12,23H,1-4H3,(H,25,26)(H,24,27,28)/b23-16+
InChIKeyGSCRDHVJBWYICL-XQNSMLJCSA-N
XLogP4.79
TPSA90.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide (CID 89369436) is 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide is [H]/N=C(\C)c1c(C(=O)Nc2c(C)cncc2C)cc(C)nc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide?
The InChIKey is GSCRDHVJBWYICL-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N5O/c1-13-11-24-12-14(2)20(13)27-22(28)18-10-15(3)25-21(19(18)16(4)23)26-17-8-6-5-7-9-17/h5-12,23H,1-4H3,(H,25,26)(H,24,27,28)/b23-16+.
What are the key properties of 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide?
2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 89369436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).