N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide

C22H19ClN4O4 — CID 6905900

IUPACN-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H19ClN4O4/c1-30-20-11-15(12-25-27-22(29)16-5-4-10-24-13-16)8-9-19(20)31-14-21(28)26-18-7-3-2-6-17(18)23/h2-13H,14H2,1H3,(H,26,28)(H,27,29)/b25-12+
InChIKeyAHLTZOWYKANEJH-BRJLIKDPSA-N
MW438.87 g/mol
LogP3.53
Rot. Bonds8

About N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6905900) has the molecular formula C22H19ClN4O4 and a molecular weight of 438.87 g/mol. Its IUPAC name is N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID6905900
Molecular FormulaC22H19ClN4O4
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC NameN-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H19ClN4O4/c1-30-20-11-15(12-25-27-22(29)16-5-4-10-24-13-16)8-9-19(20)31-14-21(28)26-18-7-3-2-6-17(18)23/h2-13H,14H2,1H3,(H,26,28)(H,27,29)/b25-12+
InChIKeyAHLTZOWYKANEJH-BRJLIKDPSA-N
XLogP3.53
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-{4-[2-(3-pyridinylcarbonyl)carbohydrazonoyl]phenoxy}acetamide
CID 5455683
N-[(E)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6905925
N-phenyl-2-(4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenoxy)acetamide
CID 9563814
N-Phenyl-2-{4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenoxy}-acetamide
CID 9564310
4-(2-Isonicotinoylcarbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate
CID 9564506
[2-methoxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 5655344
3,4-dimethoxy-N-(2-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 6879034
N-[(E)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 6905883
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 6906273
2-{2-Methoxy-4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenoxy}-N-(3-nitro-phenyl)-acetamide
CID 9593335
N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 6876749
2-[2-(2-Methoxy-phenoxy)-acetylamino]-N-pyridin-3-ylmethyl-benzamide
CID 6459085

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide (CID 6905900) is N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide is COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is AHLTZOWYKANEJH-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H19ClN4O4/c1-30-20-11-15(12-25-27-22(29)16-5-4-10-24-13-16)8-9-19(20)31-14-21(28)26-18-7-3-2-6-17(18)23/h2-13H,14H2,1H3,(H,26,28)(H,27,29)/b25-12+.
What are the key properties of N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 438.87 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6905900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).