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

C14H13N3O3 — CID 135483804

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H13N3O3/c1-20-12-6-2-4-10(13(12)18)9-16-17-14(19)11-5-3-7-15-8-11/h2-9,18H,1H3,(H,17,19)/b16-9+
InChIKeyDCBGFHCZZYSUBC-CXUHLZMHSA-N
MW271.28 g/mol
LogP1.56
Rot. Bonds4

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

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135483804) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135483804
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H13N3O3/c1-20-12-6-2-4-10(13(12)18)9-16-17-14(19)11-5-3-7-15-8-11/h2-9,18H,1H3,(H,17,19)/b16-9+
InChIKeyDCBGFHCZZYSUBC-CXUHLZMHSA-N
XLogP1.56
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135483804) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide is COc1cccc(/C=N/NC(=O)c2cccnc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is DCBGFHCZZYSUBC-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-12-6-2-4-10(13(12)18)9-16-17-14(19)11-5-3-7-15-8-11/h2-9,18H,1H3,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135483804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).