N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

C14H13N3O3 — CID 8996

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IUPACN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccncc2)ccc1O
InChIInChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)
InChIKeyPSWOBQSIXLVPDV-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.56
Rot. Bonds4

About N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 8996) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID8996
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccncc2)ccc1O
InChIInChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)
InChIKeyPSWOBQSIXLVPDV-UHFFFAOYSA-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_B(215)', '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

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N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
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Flavoteben
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Aconiazide
CID 6433573
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
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N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
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Acroteben
CID 5351737
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 8996) is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cc(C=NNC(=O)c2ccncc2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is PSWOBQSIXLVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 8996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).