N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide

C24H23N5O — CID 121114436

IUPACN-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)nn1
InChIInChI=1S/C24H23N5O/c1-19-25-15-17-29(19)23-13-12-22(26-27-23)24(30)28(18-21-10-6-3-7-11-21)16-14-20-8-4-2-5-9-20/h2-13,15,17H,14,16,18H2,1H3
InChIKeyNYWHBMWYJDMRMO-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.86
Rot. Bonds7

About N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide

N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 121114436) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID121114436
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)nn1
InChIInChI=1S/C24H23N5O/c1-19-25-15-17-29(19)23-13-12-22(26-27-23)24(30)28(18-21-10-6-3-7-11-21)16-14-20-8-4-2-5-9-20/h2-13,15,17H,14,16,18H2,1H3
InChIKeyNYWHBMWYJDMRMO-UHFFFAOYSA-N
XLogP3.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027787
N-benzyl-6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121028194
(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114236
3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
CID 121031375
N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109120599
1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 121114370
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 78811228
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
6-(2-methylimidazol-1-yl)-N-quinolin-3-ylpyridazine-3-carboxamide
CID 121114385
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 121114436) is N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is NYWHBMWYJDMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-19-25-15-17-29(19)23-13-12-22(26-27-23)24(30)28(18-21-10-6-3-7-11-21)16-14-20-8-4-2-5-9-20/h2-13,15,17H,14,16,18H2,1H3.
What are the key properties of N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide?
N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 121114436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).