N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide

C22H17N3O — CID 58553394

IUPACN-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2cccc(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C22H17N3O/c23-22(24)25-21(26)16-12-11-15-7-4-10-19(20(15)13-16)18-9-3-6-14-5-1-2-8-17(14)18/h1-13H,(H4,23,24,25,26)
InChIKeyOVFBVFZCAGPKGY-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.07
Rot. Bonds2

About N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide

N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide (PubChem CID 58553394) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
PubChem CID58553394
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2cccc(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C22H17N3O/c23-22(24)25-21(26)16-12-11-15-7-4-10-19(20(15)13-16)18-9-3-6-14-5-1-2-8-17(14)18/h1-13H,(H4,23,24,25,26)
InChIKeyOVFBVFZCAGPKGY-UHFFFAOYSA-N
XLogP4.07
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.07
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

8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 70227845
N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride
CID 18945193
8-(4-chlorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553229
N-(diaminomethylidene)-8-(4-fluorophenyl)naphthalene-2-carboxamide
CID 58553663
8-(4-chloro-2-fluorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553241
8-(2-chloro-3-pyridinyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553503
N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
CID 46865262
N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
CID 58553352
N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide
CID 58553330
8-(2-chloro-6-isocyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553731
8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
N-(diaminomethylidene)dibenzofuran-3-carboxamide
CID 72734862

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide (CID 58553394) is N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide is NC(N)=NC(=O)c1ccc2cccc(-c3cccc4ccccc34)c2c1.
What is the InChIKey of N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide?
The InChIKey is OVFBVFZCAGPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c23-22(24)25-21(26)16-12-11-15-7-4-10-19(20(15)13-16)18-9-3-6-14-5-1-2-8-17(14)18/h1-13H,(H4,23,24,25,26).
What are the key properties of N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide?
N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 58553394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).