[[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate

C17H13N3O2 — CID 2943655

IUPAC[[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate
SMILESNC(=NOC(=O)c1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C17H13N3O2/c18-16(13-7-4-10-19-11-13)20-22-17(21)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H2,18,20)
InChIKeyDMIGWJKURWQCJA-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.71
Rot. Bonds3

About [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate

[[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate (PubChem CID 2943655) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate
PubChem CID2943655
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name[[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate
SMILESNC(=NOC(=O)c1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C17H13N3O2/c18-16(13-7-4-10-19-11-13)20-22-17(21)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H2,18,20)
InChIKeyDMIGWJKURWQCJA-UHFFFAOYSA-N
XLogP2.71
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate 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

3-(Pyridin-3-yl)benzoic acid
CID 2795575
Isoquinoline-5-carboxylic acid
CID 260936
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
Isoquinoline-6-carboxylic acid
CID 22128831
2-(Pyridin-4-yl)benzoic acid
CID 12130775
3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
N'-[(naphthalen-1-ylcarbonyl)oxy]pyridine-2-carboximidamide
CID 9600644
N'-{[(3-fluorophenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9628343
5-(Pyridin-4-yl)-1-naphthoic Acid
CID 22118910
3-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166841
4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzoic acid
CID 136166845
N'-{[(3-methylphenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9689721

Frequently Asked Questions

What is the IUPAC name of [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate?
The IUPAC name of [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate (CID 2943655) is [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate.
What is the SMILES notation for [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate?
The canonical SMILES for [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate is NC(=NOC(=O)c1cccc2ccccc12)c1cccnc1.
What is the InChIKey of [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate?
The InChIKey is DMIGWJKURWQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-16(13-7-4-10-19-11-13)20-22-17(21)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H2,18,20).
What are the key properties of [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate?
[[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(pyridin-3-yl)methylidene]amino] naphthalene-1-carboxylate is sourced from PubChem (CID 2943655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).