6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide

C19H23ClN4O — CID 109126321

IUPAC6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C19H23ClN4O/c20-16-7-5-6-15(14-16)10-11-21-19(25)17-8-9-18(23-22-17)24-12-3-1-2-4-13-24/h5-9,14H,1-4,10-13H2,(H,21,25)
InChIKeyZHRXQGLZZVLDQD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.48
Rot. Bonds5

About 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide

6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109126321) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109126321
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C19H23ClN4O/c20-16-7-5-6-15(14-16)10-11-21-19(25)17-8-9-18(23-22-17)24-12-3-1-2-4-13-24/h5-9,14H,1-4,10-13H2,(H,21,25)
InChIKeyZHRXQGLZZVLDQD-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322327
2-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109334319
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321614
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116807
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119352616

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide (CID 109126321) is 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide is O=C(NCCc1cccc(Cl)c1)c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is ZHRXQGLZZVLDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-7-5-6-15(14-16)10-11-21-19(25)17-8-9-18(23-22-17)24-12-3-1-2-4-13-24/h5-9,14H,1-4,10-13H2,(H,21,25).
What are the key properties of 6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.48, 5 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-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109126321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).