6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide

C18H22N4O — CID 109126354

IUPAC6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCCCCC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-14-7-6-8-15(13-14)19-18(23)16-9-10-17(21-20-16)22-11-4-2-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,19,23)
InChIKeySFTLQJAQZKJWSW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.42
Rot. Bonds3

About 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide

6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109126354) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
PubChem CID109126354
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCCCCC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-14-7-6-8-15(13-14)19-18(23)16-9-10-17(21-20-16)22-11-4-2-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,19,23)
InChIKeySFTLQJAQZKJWSW-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide (CID 109126354) is 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(N3CCCCCC3)nn2)c1.
What is the InChIKey of 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is SFTLQJAQZKJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-7-6-8-15(13-14)19-18(23)16-9-10-17(21-20-16)22-11-4-2-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,19,23).
What are the key properties of 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).