6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide

C12H16ClN3O2 — CID 55226827

IUPAC6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c1-16(8-9-4-6-18-7-5-9)12(17)10-2-3-11(13)15-14-10/h2-3,9H,4-8H2,1H3
InChIKeyHSEDDNWQKRSMGS-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.63
Rot. Bonds3

About 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide

6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 55226827) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID55226827
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c1-16(8-9-4-6-18-7-5-9)12(17)10-2-3-11(13)15-14-10/h2-3,9H,4-8H2,1H3
InChIKeyHSEDDNWQKRSMGS-UHFFFAOYSA-N
XLogP1.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63707773
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide
CID 63955165
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
N-methyl-6-(methylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63707262
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63706259

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide (CID 55226827) is 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide is CN(CC1CCOCC1)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is HSEDDNWQKRSMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16(8-9-4-6-18-7-5-9)12(17)10-2-3-11(13)15-14-10/h2-3,9H,4-8H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide?
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55226827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).