N-(diaminomethylidene)naphthalene-1-carboxamide

C12H11N3O — CID 15388927

IUPACN-(diaminomethylidene)naphthalene-1-carboxamide
SMILESNC(N)=NC(=O)c1cccc2ccccc12
InChIInChI=1S/C12H11N3O/c13-12(14)15-11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,13,14,15,16)
InChIKeyAPOPAXUENTVHHC-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.25
Rot. Bonds1

About N-(diaminomethylidene)naphthalene-1-carboxamide

N-(diaminomethylidene)naphthalene-1-carboxamide (PubChem CID 15388927) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(diaminomethylidene)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)naphthalene-1-carboxamide
PubChem CID15388927
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(diaminomethylidene)naphthalene-1-carboxamide
SMILESNC(N)=NC(=O)c1cccc2ccccc12
InChIInChI=1S/C12H11N3O/c13-12(14)15-11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,13,14,15,16)
InChIKeyAPOPAXUENTVHHC-UHFFFAOYSA-N
XLogP1.25
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Naphthohydroxamic Acid
CID 23382
1-Naphthalenecarboxamide
CID 75244
2-Naphthalenecarboxamide
CID 75245
N-(Aminoiminomethyl)benzamide
CID 76630
2,3-Dimethylbenzamide
CID 2800987
1-Naphthohydrazide
CID 72689
2-Naphthohydrazide
CID 123485
N-hydroxy-2-naphthalenecarboxamide
CID 25164
N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
CID 118706298
Anthracene-1-carboxylic acid amide
CID 827252
N-(Naphthalene-1-carbonyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149297
N-(diaminomethylidene)-9H-fluorene-2-carboxamide
CID 72734860

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)naphthalene-1-carboxamide?
The IUPAC name of N-(diaminomethylidene)naphthalene-1-carboxamide (CID 15388927) is N-(diaminomethylidene)naphthalene-1-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)naphthalene-1-carboxamide?
The canonical SMILES for N-(diaminomethylidene)naphthalene-1-carboxamide is NC(N)=NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(diaminomethylidene)naphthalene-1-carboxamide?
The InChIKey is APOPAXUENTVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12(14)15-11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,13,14,15,16).
What are the key properties of N-(diaminomethylidene)naphthalene-1-carboxamide?
N-(diaminomethylidene)naphthalene-1-carboxamide has a molecular weight of 213.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)naphthalene-1-carboxamide is sourced from PubChem (CID 15388927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).