N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide

C25H22N4O2 — CID 135602458

IUPACN'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
SMILESCCOc1ccc(/N=C(/N/N=C/c2c(O)ccc3ccccc23)c2ccccn2)cc1
InChIInChI=1S/C25H22N4O2/c1-2-31-20-13-11-19(12-14-20)28-25(23-9-5-6-16-26-23)29-27-17-22-21-8-4-3-7-18(21)10-15-24(22)30/h3-17,30H,2H2,1H3,(H,28,29)/b27-17+
InChIKeyVOJFTBDQJZQGOJ-WPWMEQJKSA-N
MW410.48 g/mol
LogP5.04
Rot. Bonds6

About N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide

N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide (PubChem CID 135602458) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
PubChem CID135602458
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide
SMILESCCOc1ccc(/N=C(/N/N=C/c2c(O)ccc3ccccc23)c2ccccn2)cc1
InChIInChI=1S/C25H22N4O2/c1-2-31-20-13-11-19(12-14-20)28-25(23-9-5-6-16-26-23)29-27-17-22-21-8-4-3-7-18(21)10-15-24(22)30/h3-17,30H,2H2,1H3,(H,28,29)/b27-17+
InChIKeyVOJFTBDQJZQGOJ-WPWMEQJKSA-N
XLogP5.04
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.04
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
CID 5229220
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
2-(4-ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 135957588
N'-(4-ethoxyphenyl)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 6307814
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide
CID 135602490
N'-(4-ethoxyphenyl)-N-[(E)-2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]pyridine-2-carboximidamide
CID 19260382
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
2-(4-fluorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137054697
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135722741

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide (CID 135602458) is N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide is CCOc1ccc(/N=C(/N/N=C/c2c(O)ccc3ccccc23)c2ccccn2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
The InChIKey is VOJFTBDQJZQGOJ-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-2-31-20-13-11-19(12-14-20)28-25(23-9-5-6-16-26-23)29-27-17-22-21-8-4-3-7-18(21)10-15-24(22)30/h3-17,30H,2H2,1H3,(H,28,29)/b27-17+.
What are the key properties of N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide?
N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide has a molecular weight of 410.48 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboximidamide is sourced from PubChem (CID 135602458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).