2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide

C7H7Cl2N5O — CID 88764448

IUPAC2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide
SMILESNC(N)=NNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H7Cl2N5O/c8-4-1-3(2-5(9)12-4)6(15)13-14-7(10)11/h1-2H,(H,13,15)(H4,10,11,14)
InChIKeyMGJDSHGCOZXKQS-UHFFFAOYSA-N
MW248.07 g/mol
LogP0.31
Rot. Bonds2

About 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide

2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide (PubChem CID 88764448) has the molecular formula C7H7Cl2N5O and a molecular weight of 248.07 g/mol. Its IUPAC name is 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide
PubChem CID88764448
Molecular FormulaC7H7Cl2N5O
Molecular Weight248.07 g/mol
Exact Mass247.00
IUPAC Name2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide
SMILESNC(N)=NNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H7Cl2N5O/c8-4-1-3(2-5(9)12-4)6(15)13-14-7(10)11/h1-2H,(H,13,15)(H4,10,11,14)
InChIKeyMGJDSHGCOZXKQS-UHFFFAOYSA-N
XLogP0.31
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 65038933
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916
2-[(2,6-dichloropyridine-4-carbonyl)amino]oxyacetic acid
CID 103603441
2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
CID 43343719
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide (CID 88764448) is 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide is NC(N)=NNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide?
The InChIKey is MGJDSHGCOZXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N5O/c8-4-1-3(2-5(9)12-4)6(15)13-14-7(10)11/h1-2H,(H,13,15)(H4,10,11,14).
What are the key properties of 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide?
2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide has a molecular weight of 248.07 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(diaminomethylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 88764448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).