N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

C22H21ClN4O2 — CID 46375078

IUPACN-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1Cl
InChIInChI=1S/C22H21ClN4O2/c1-29-20-9-7-17(14-18(20)23)24-22(28)16-6-4-5-15(13-16)19-8-10-21(26-25-19)27-11-2-3-12-27/h4-10,13-14H,2-3,11-12H2,1H3,(H,24,28)
InChIKeyDRLNQAHOAVCJND-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.66
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 46375078) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID46375078
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1Cl
InChIInChI=1S/C22H21ClN4O2/c1-29-20-9-7-17(14-18(20)23)24-22(28)16-6-4-5-15(13-16)19-8-10-21(26-25-19)27-11-2-3-12-27/h4-10,13-14H,2-3,11-12H2,1H3,(H,24,28)
InChIKeyDRLNQAHOAVCJND-UHFFFAOYSA-N
XLogP4.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025152
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
CID 25301822
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
1-(2-methoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991819

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 46375078) is N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is COc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is DRLNQAHOAVCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-29-20-9-7-17(14-18(20)23)24-22(28)16-6-4-5-15(13-16)19-8-10-21(26-25-19)27-11-2-3-12-27/h4-10,13-14H,2-3,11-12H2,1H3,(H,24,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 46375078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).