N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide

C16H17N3O3 — CID 135591232

IUPACN-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C16H17N3O3/c1-2-8-22-14-6-5-12(15(20)9-14)11-18-19-16(21)13-4-3-7-17-10-13/h3-7,9-11,20H,2,8H2,1H3,(H,19,21)/b18-11+
InChIKeyPQJKLRMSHBTHDJ-WOJGMQOQSA-N
MW299.33 g/mol
LogP2.34
Rot. Bonds6

About N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135591232) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135591232
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C16H17N3O3/c1-2-8-22-14-6-5-12(15(20)9-14)11-18-19-16(21)13-4-3-7-17-10-13/h3-7,9-11,20H,2,8H2,1H3,(H,19,21)/b18-11+
InChIKeyPQJKLRMSHBTHDJ-WOJGMQOQSA-N
XLogP2.34
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.34
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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Related Compounds

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
CID 139204410
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 135614713
1-ethyl-N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 135716156
[3-hydroxy-4-(pyridin-3-yliminomethyl)phenyl] 4-propoxybenzoate
CID 136828288
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
CID 135884871
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
1-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 4573114
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 2368103
N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4071784
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135591232) is N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCCOc1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is PQJKLRMSHBTHDJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-8-22-14-6-5-12(15(20)9-14)11-18-19-16(21)13-4-3-7-17-10-13/h3-7,9-11,20H,2,8H2,1H3,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135591232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).