N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide

C19H18N2O — CID 5122775

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
SMILESO=C(NN=CC1CC2C=CC1C2)c1cccc2ccccc12
InChIInChI=1S/C19H18N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-9,12-13,15-16H,10-11H2,(H,21,22)
InChIKeyTXUAFJOYFRASTQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.77
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide (PubChem CID 5122775) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
PubChem CID5122775
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
SMILESO=C(NN=CC1CC2C=CC1C2)c1cccc2ccccc12
InChIInChI=1S/C19H18N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-9,12-13,15-16H,10-11H2,(H,21,22)
InChIKeyTXUAFJOYFRASTQ-UHFFFAOYSA-N
XLogP3.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 129439488
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 129439089
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 98299806
N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 7438153
N-[(Z)-[(1S,2S,4S,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 98098081
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-(propanoylamino)benzamide
CID 129440279
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-3,4,5-trimethoxybenzamide
CID 3713434
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide (CID 5122775) is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide is O=C(NN=CC1CC2C=CC1C2)c1cccc2ccccc12.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide?
The InChIKey is TXUAFJOYFRASTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-9,12-13,15-16H,10-11H2,(H,21,22).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide is sourced from PubChem (CID 5122775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).