N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide

C22H26N6O3 — CID 124979019

IUPACN-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
SMILESCCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)ccc21
InChIInChI=1S/C22H26N6O3/c1-3-27-14-23-18-12-16(6-8-19(18)27)24-20(29)11-15-5-4-10-28(13-15)22(31)17-7-9-21(30)26(2)25-17/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,24,29)/t15-/m0/s1
InChIKeyLYAKHJHSZRIJGV-HNNXBMFYSA-N
MW422.49 g/mol
LogP2.03
Rot. Bonds5

About N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide

N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 124979019) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID124979019
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
SMILESCCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)ccc21
InChIInChI=1S/C22H26N6O3/c1-3-27-14-23-18-12-16(6-8-19(18)27)24-20(29)11-15-5-4-10-28(13-15)22(31)17-7-9-21(30)26(2)25-17/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,24,29)/t15-/m0/s1
InChIKeyLYAKHJHSZRIJGV-HNNXBMFYSA-N
XLogP2.03
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide with MolForge

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Related Compounds

2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
CID 175657170
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
CID 92633758
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
N-(4-fluoro-2-methylphenyl)-3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide
CID 42392284
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 98138865
6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 26333754
N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
CID 175656680
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 125010912
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 124960963

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide (CID 124979019) is N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide is CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)ccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is LYAKHJHSZRIJGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-3-27-14-23-18-12-16(6-8-19(18)27)24-20(29)11-15-5-4-10-28(13-15)22(31)17-7-9-21(30)26(2)25-17/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,24,29)/t15-/m0/s1.
What are the key properties of N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide?
N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 124979019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).