4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide

C10H10ClN3O — CID 103817245

IUPAC4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)CC#N)cn1
InChIInChI=1S/C10H10ClN3O/c1-7-5-9(11)8(6-13-7)10(15)14(2)4-3-12/h5-6H,4H2,1-2H3
InChIKeyJXBVYVPVUKKHAT-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.64
Rot. Bonds2

About 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide

4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 103817245) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
PubChem CID103817245
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)CC#N)cn1
InChIInChI=1S/C10H10ClN3O/c1-7-5-9(11)8(6-13-7)10(15)14(2)4-3-12/h5-6H,4H2,1-2H3
InChIKeyJXBVYVPVUKKHAT-UHFFFAOYSA-N
XLogP1.64
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113268050
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
CID 81228294
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide (CID 103817245) is 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N(C)CC#N)cn1.
What is the InChIKey of 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is JXBVYVPVUKKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-5-9(11)8(6-13-7)10(15)14(2)4-3-12/h5-6H,4H2,1-2H3.
What are the key properties of 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide?
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 223.66 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 103817245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).