2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide

C27H21N5O2 — CID 46662601

IUPAC2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C27H21N5O2/c33-26(19-34-25-13-12-20-7-4-5-8-21(20)15-25)30-29-17-23-18-32(24-10-2-1-3-11-24)31-27(23)22-9-6-14-28-16-22/h1-18H,19H2,(H,30,33)/b29-17+
InChIKeyNWSROJRIYPXRIG-STBIYBPSSA-N
MW447.50 g/mol
LogP4.62
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide

2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 46662601) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID46662601
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C27H21N5O2/c33-26(19-34-25-13-12-20-7-4-5-8-21(20)15-25)30-29-17-23-18-32(24-10-2-1-3-11-24)31-27(23)22-9-6-14-28-16-22/h1-18H,19H2,(H,30,33)/b29-17+
InChIKeyNWSROJRIYPXRIG-STBIYBPSSA-N
XLogP4.62
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-chlorophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 1043473
2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 136913658
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
2-phenoxy-N-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4232503
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
2-(3-chlorophenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4276530
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6175507
2-(4-ethylphenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4123323
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
1-butyl-3-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
CID 7933820
2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 6309317

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide (CID 46662601) is 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is NWSROJRIYPXRIG-STBIYBPSSA-N. The full InChI is InChI=1S/C27H21N5O2/c33-26(19-34-25-13-12-20-7-4-5-8-21(20)15-25)30-29-17-23-18-32(24-10-2-1-3-11-24)31-27(23)22-9-6-14-28-16-22/h1-18H,19H2,(H,30,33)/b29-17+.
What are the key properties of 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide?
2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 447.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 46662601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).