N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

C12H11ClN4O — CID 115876919

IUPACN-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccn2)c(C)nn1
InChIInChI=1S/C12H11ClN4O/c1-7-5-10(8(2)17-16-7)12(18)15-11-6-9(13)3-4-14-11/h3-6H,1-2H3,(H,14,15,18)
InChIKeyCKGPCPPXYWWUAK-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.39
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 115876919) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID115876919
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccn2)c(C)nn1
InChIInChI=1S/C12H11ClN4O/c1-7-5-10(8(2)17-16-7)12(18)15-11-6-9(13)3-4-14-11/h3-6H,1-2H3,(H,14,15,18)
InChIKeyCKGPCPPXYWWUAK-UHFFFAOYSA-N
XLogP2.39
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 115883719
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
2-chloro-N-(4-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104954651
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
3-chloro-N-(4-chloro-2-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103407346
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (CID 115876919) is N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccn2)c(C)nn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is CKGPCPPXYWWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-5-10(8(2)17-16-7)12(18)15-11-6-9(13)3-4-14-11/h3-6H,1-2H3,(H,14,15,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 115876919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).