6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide

C22H21ClN4O — CID 145131074

IUPAC6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(Nc2ccccc2)ncc(C(=O)Nc2ccc(CC)cc2)c1Cl
InChIInChI=1S/C22H21ClN4O/c1-3-15-9-11-17(12-10-15)27-22(28)18-13-25-21(19(14(2)24)20(18)23)26-16-7-5-4-6-8-16/h4-13,24H,3H2,1-2H3,(H,25,26)(H,27,28)/b24-14+
InChIKeyZBRFFQKCTICLQE-ZVHZXABRSA-N
MW392.89 g/mol
LogP5.68
Rot. Bonds6

About 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide

6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide (PubChem CID 145131074) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
PubChem CID145131074
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(Nc2ccccc2)ncc(C(=O)Nc2ccc(CC)cc2)c1Cl
InChIInChI=1S/C22H21ClN4O/c1-3-15-9-11-17(12-10-15)27-22(28)18-13-25-21(19(14(2)24)20(18)23)26-16-7-5-4-6-8-16/h4-13,24H,3H2,1-2H3,(H,25,26)(H,27,28)/b24-14+
InChIKeyZBRFFQKCTICLQE-ZVHZXABRSA-N
XLogP5.68
TPSA77.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 145130837
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921935
4-chloro-5-ethanimidoyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 145131064
N-(4-ethylphenyl)benzamide
CID 774063
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594

Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide (CID 145131074) is 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide is [H]/N=C(\C)c1c(Nc2ccccc2)ncc(C(=O)Nc2ccc(CC)cc2)c1Cl.
What is the InChIKey of 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is ZBRFFQKCTICLQE-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-3-15-9-11-17(12-10-15)27-22(28)18-13-25-21(19(14(2)24)20(18)23)26-16-7-5-4-6-8-16/h4-13,24H,3H2,1-2H3,(H,25,26)(H,27,28)/b24-14+.
What are the key properties of 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide?
6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 145131074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).