N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

C24H26N4O3 — CID 50815977

IUPACN-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESCOc1cccc(C(C)NC(=O)c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C24H26N4O3/c1-17(18-5-4-8-21(16-18)30-2)25-24(29)20-7-3-6-19(15-20)22-9-10-23(27-26-22)28-11-13-31-14-12-28/h3-10,15-17H,11-14H2,1-2H3,(H,25,29)
InChIKeyLJTNMZNNURBEQI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (PubChem CID 50815977) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
PubChem CID50815977
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESCOc1cccc(C(C)NC(=O)c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C24H26N4O3/c1-17(18-5-4-8-21(16-18)30-2)25-24(29)20-7-3-6-19(15-20)22-9-10-23(27-26-22)28-11-13-31-14-12-28/h3-10,15-17H,11-14H2,1-2H3,(H,25,29)
InChIKeyLJTNMZNNURBEQI-UHFFFAOYSA-N
XLogP3.48
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
CID 50816070
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (CID 50815977) is N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is COc1cccc(C(C)NC(=O)c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The InChIKey is LJTNMZNNURBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17(18-5-4-8-21(16-18)30-2)25-24(29)20-7-3-6-19(15-20)22-9-10-23(27-26-22)28-11-13-31-14-12-28/h3-10,15-17H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 50815977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).