N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol

C15H17N3O4 — CID 139204410

IUPACN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
SMILESCO.COc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C14H13N3O3.CH4O/c1-20-12-5-4-10(13(18)7-12)9-16-17-14(19)11-3-2-6-15-8-11;1-2/h2-9,18H,1H3,(H,17,19);2H,1H3/b16-9+;
InChIKeyIQUMRLNMWQIODW-QOVZSLTQSA-N
MW303.32 g/mol
LogP1.17
Rot. Bonds4

About N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol (PubChem CID 139204410) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
PubChem CID139204410
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
SMILESCO.COc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C14H13N3O3.CH4O/c1-20-12-5-4-10(13(18)7-12)9-16-17-14(19)11-3-2-6-15-8-11;1-2/h2-9,18H,1H3,(H,17,19);2H,1H3/b16-9+;
InChIKeyIQUMRLNMWQIODW-QOVZSLTQSA-N
XLogP1.17
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591232
4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135781803
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 689201
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol?
The IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol (CID 139204410) is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol is CO.COc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol?
The InChIKey is IQUMRLNMWQIODW-QOVZSLTQSA-N. The full InChI is InChI=1S/C14H13N3O3.CH4O/c1-20-12-5-4-10(13(18)7-12)9-16-17-14(19)11-3-2-6-15-8-11;1-2/h2-9,18H,1H3,(H,17,19);2H,1H3/b16-9+;.
What are the key properties of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol?
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol has a molecular weight of 303.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol is sourced from PubChem (CID 139204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).