N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide

C13H12ClN3O — CID 115683291

IUPACN-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)n2)c(C)n1
InChIInChI=1S/C13H12ClN3O/c1-8-6-7-10(9(2)15-8)13(18)17-12-5-3-4-11(14)16-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyBBPAINMCTFBEMG-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.00
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide

N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 115683291) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID115683291
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)n2)c(C)n1
InChIInChI=1S/C13H12ClN3O/c1-8-6-7-10(9(2)15-8)13(18)17-12-5-3-4-11(14)16-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyBBPAINMCTFBEMG-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide (CID 115683291) is N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(Cl)n2)c(C)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is BBPAINMCTFBEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-6-7-10(9(2)15-8)13(18)17-12-5-3-4-11(14)16-12/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide?
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 115683291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).