8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide

C19H14N4O — CID 70227845

IUPAC8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
SMILESN#Cc1ccccc1-c1cccc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C19H14N4O/c20-11-14-4-1-2-6-15(14)16-7-3-5-12-8-9-13(10-17(12)16)18(24)23-19(21)22/h1-10H,(H4,21,22,23,24)
InChIKeyBXZWVGCOHMJSSX-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.79
Rot. Bonds2

About 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide

8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide (PubChem CID 70227845) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide.

Molecular Properties

Compound Name8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
PubChem CID70227845
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
SMILESN#Cc1ccccc1-c1cccc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C19H14N4O/c20-11-14-4-1-2-6-15(14)16-7-3-5-12-8-9-13(10-17(12)16)18(24)23-19(21)22/h1-10H,(H4,21,22,23,24)
InChIKeyBXZWVGCOHMJSSX-UHFFFAOYSA-N
XLogP2.79
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide?
The IUPAC name of 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide (CID 70227845) is 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide.
What is the SMILES notation for 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide?
The canonical SMILES for 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide is N#Cc1ccccc1-c1cccc2ccc(C(=O)N=C(N)N)cc12.
What is the InChIKey of 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide?
The InChIKey is BXZWVGCOHMJSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-11-14-4-1-2-6-15(14)16-7-3-5-12-8-9-13(10-17(12)16)18(24)23-19(21)22/h1-10H,(H4,21,22,23,24).
What are the key properties of 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide?
8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide is sourced from PubChem (CID 70227845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).