N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide

C14H15N3O3 — CID 15940938

IUPACN-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)N=C(N)N)c(OC)c2ccccc12
InChIInChI=1S/C14H15N3O3/c1-19-11-7-10(13(18)17-14(15)16)12(20-2)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyCVGVEMBAUCGNJO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.27
Rot. Bonds3

About N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide

N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide (PubChem CID 15940938) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide
PubChem CID15940938
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)N=C(N)N)c(OC)c2ccccc12
InChIInChI=1S/C14H15N3O3/c1-19-11-7-10(13(18)17-14(15)16)12(20-2)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyCVGVEMBAUCGNJO-UHFFFAOYSA-N
XLogP1.27
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(diaminomethylidene)-5,6,8-trimethoxy-2-(2-methylphenyl)quinoline-4-carboxamide
CID 19955638
(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine
CID 125472471
N-(diaminomethylidene)-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzamide
CID 54580484
[(1,4-dimethoxynaphthalene-2-carbonyl)-methylamino] benzenesulfonate
CID 130318797
3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
CID 23195916
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
N-(diaminomethylidene)-3-methoxy-2-methyl-5-pyrrol-1-ylbenzamide
CID 174337112
3-(2-aminophenyl)-4,5-dimethoxybenzoic acid
CID 82038920
3-butyl-N-(diaminomethylidene)-2-methoxybenzamide;hydrochloride
CID 146034444
N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide
CID 11312289
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
2-bromo-1-(1-hydroxy-4-methoxynaphthalen-2-yl)ethanone
CID 156502988

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide (CID 15940938) is N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide is COc1cc(C(=O)N=C(N)N)c(OC)c2ccccc12.
What is the InChIKey of N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide?
The InChIKey is CVGVEMBAUCGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-11-7-10(13(18)17-14(15)16)12(20-2)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide?
N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 15940938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).