dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

C19H22N6O4 — CID 168605054

IUPACdimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C19H22N6O4/c1-9-13(16(26)28-3)15(14(10(2)23-9)17(27)29-4)11-5-7-12(8-6-11)24-19(22)25-18(20)21/h5-8H,1-4H3,(H6,20,21,22,24,25)
InChIKeySDBVAQMNIKOUHJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.16
Rot. Bonds4

About dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 168605054) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID168605054
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Namedimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C19H22N6O4/c1-9-13(16(26)28-3)15(14(10(2)23-9)17(27)29-4)11-5-7-12(8-6-11)24-19(22)25-18(20)21/h5-8H,1-4H3,(H6,20,21,22,24,25)
InChIKeySDBVAQMNIKOUHJ-UHFFFAOYSA-N
XLogP1.16
TPSA168.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate 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

methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168605167
methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
CID 168605433
3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
CID 71208997
1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
CID 168602688
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
CID 168604796
methyl 4-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168604281
1-(diaminomethylidene)-2-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]guanidine
CID 168602006
ethyl 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetate
CID 168605980
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
CID 168602108

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (CID 168605054) is dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is SDBVAQMNIKOUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-9-13(16(26)28-3)15(14(10(2)23-9)17(27)29-4)11-5-7-12(8-6-11)24-19(22)25-18(20)21/h5-8H,1-4H3,(H6,20,21,22,24,25).
What are the key properties of dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 398.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 168605054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).