6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide

C10H12ClN3O — CID 155340933

IUPAC6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide
SMILESCc1ccc(Cl)nc1C(=O)/N=C/N(C)C
InChIInChI=1S/C10H12ClN3O/c1-7-4-5-8(11)13-9(7)10(15)12-6-14(2)3/h4-6H,1-3H3/b12-6+
InChIKeyZFHGGKFFXBIJKB-WUXMJOGZSA-N
MW225.68 g/mol
LogP1.77
Rot. Bonds2

About 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide

6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide (PubChem CID 155340933) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide
PubChem CID155340933
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide
SMILESCc1ccc(Cl)nc1C(=O)/N=C/N(C)C
InChIInChI=1S/C10H12ClN3O/c1-7-4-5-8(11)13-9(7)10(15)12-6-14(2)3/h4-6H,1-3H3/b12-6+
InChIKeyZFHGGKFFXBIJKB-WUXMJOGZSA-N
XLogP1.77
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

6-chloro-N,N,3-trimethylpyridine-2-carboxamide
CID 129104169
potassium 6-chloro-3-methylpyridine-2-carboxylate
CID 86707308
propan-2-yl 6-chloro-3-methylpyridine-2-carboxylate
CID 155594307
[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate
CID 169269120
[[C-(6-chloro-3-methyl-2-pyridinyl)-N-methylcarbonimidoyl]amino] formate;ethane
CID 169269119
N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
2,6-dichloro-3-methylpyridine
CID 817088
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
4-(dimethylaminomethylidenecarbamoyl)-3-phenyloxadiazol-3-ium-5-olate
CID 13270285
N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
CID 167350489
2,6-dichloro-3-methylpyridine;hydrochloride
CID 45382145

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide (CID 155340933) is 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide is Cc1ccc(Cl)nc1C(=O)/N=C/N(C)C.
What is the InChIKey of 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide?
The InChIKey is ZFHGGKFFXBIJKB-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7-4-5-8(11)13-9(7)10(15)12-6-14(2)3/h4-6H,1-3H3/b12-6+.
What are the key properties of 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide?
6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(dimethylaminomethylidene)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155340933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).