N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide

C25H21N3O2 — CID 5179014

IUPACN-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C25H21N3O2/c1-18(27-28-25(29)21-9-5-15-26-16-21)19-11-13-23(14-12-19)30-17-22-8-4-7-20-6-2-3-10-24(20)22/h2-16H,17H2,1H3,(H,28,29)
InChIKeyZSMPWROQDDQURM-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.97
Rot. Bonds6

About N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide

N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 5179014) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
PubChem CID5179014
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C25H21N3O2/c1-18(27-28-25(29)21-9-5-15-26-16-21)19-11-13-23(14-12-19)30-17-22-8-4-7-20-6-2-3-10-24(20)22/h2-16H,17H2,1H3,(H,28,29)
InChIKeyZSMPWROQDDQURM-UHFFFAOYSA-N
XLogP4.97
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-[4-[[(2S,3R)-3-[4-[(Z)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 92534136
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide (CID 5179014) is N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is ZSMPWROQDDQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-18(27-28-25(29)21-9-5-15-26-16-21)19-11-13-23(14-12-19)30-17-22-8-4-7-20-6-2-3-10-24(20)22/h2-16H,17H2,1H3,(H,28,29).
What are the key properties of N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5179014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).