(1-methyl-2-pyridinylidene)cyanamide

C7H7N3 — CID 139235944

IUPAC(1-methyl-2-pyridinylidene)cyanamide
SMILESCn1cccc/c1=N\C#N
InChIInChI=1S/C7H7N3/c1-10-5-3-2-4-7(10)9-6-8/h2-5H,1H3/b9-7+
InChIKeyDSCRVSUOOGGJGA-VQHVLOKHSA-N
MW133.15 g/mol
LogP0.41
Rot. Bonds

About (1-methyl-2-pyridinylidene)cyanamide

(1-methyl-2-pyridinylidene)cyanamide (PubChem CID 139235944) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (1-methyl-2-pyridinylidene)cyanamide.

Molecular Properties

Compound Name(1-methyl-2-pyridinylidene)cyanamide
PubChem CID139235944
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name(1-methyl-2-pyridinylidene)cyanamide
SMILESCn1cccc/c1=N\C#N
InChIInChI=1S/C7H7N3/c1-10-5-3-2-4-7(10)9-6-8/h2-5H,1H3/b9-7+
InChIKeyDSCRVSUOOGGJGA-VQHVLOKHSA-N
XLogP0.41
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2h-Pyrido-[1,2-a]pyrimidine
CID 20222720
2H-imidazo[1,2-a]pyridin-4-ium
CID 23565484
Pyrido[1,2-a][1,3,5]triazine
CID 68141057
Pyrido-[1,2-a]-1,3-diazepine
CID 129798958
2h-Pyrido[1,2-a][1,3,5]triazine
CID 129879268
1-ethenyl-5-fluoro-N-methylpyridin-2-imine
CID 68334595
(2E)-N-Cyclopropyl-1-methylpyridin-2(1H)-imine
CID 45088176
1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine
CID 90654287
6-fluoro-N,1-dimethylpyridin-2-imine
CID 90654297
2-(Azaethylidene)-1-methylhydropyridine
CID 4463569
4-Ethylimidazo[1,2-a]pyridin-4-ium
CID 18001023
carbanide;2H-imidazo[1,2-a]pyridin-2-ide;tungsten(2+)
CID 20657835

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-pyridinylidene)cyanamide?
The IUPAC name of (1-methyl-2-pyridinylidene)cyanamide (CID 139235944) is (1-methyl-2-pyridinylidene)cyanamide.
What is the SMILES notation for (1-methyl-2-pyridinylidene)cyanamide?
The canonical SMILES for (1-methyl-2-pyridinylidene)cyanamide is Cn1cccc/c1=N\C#N.
What is the InChIKey of (1-methyl-2-pyridinylidene)cyanamide?
The InChIKey is DSCRVSUOOGGJGA-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H7N3/c1-10-5-3-2-4-7(10)9-6-8/h2-5H,1H3/b9-7+.
What are the key properties of (1-methyl-2-pyridinylidene)cyanamide?
(1-methyl-2-pyridinylidene)cyanamide has a molecular weight of 133.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-pyridinylidene)cyanamide is sourced from PubChem (CID 139235944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).