N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide

C19H21N5O3 — CID 122563016

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
SMILESCOCCn1cncc1CNC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C19H21N5O3/c1-23-18(25)8-7-17(22-23)14-3-5-15(6-4-14)19(26)21-12-16-11-20-13-24(16)9-10-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,26)
InChIKeyGNFNKZMZYBQPRK-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.22
Rot. Bonds7

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide (PubChem CID 122563016) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
PubChem CID122563016
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
SMILESCOCCn1cncc1CNC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C19H21N5O3/c1-23-18(25)8-7-17(22-23)14-3-5-15(6-4-14)19(26)21-12-16-11-20-13-24(16)9-10-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,26)
InChIKeyGNFNKZMZYBQPRK-UHFFFAOYSA-N
XLogP1.22
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118788982
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146046306
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide (CID 122563016) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide is COCCn1cncc1CNC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide?
The InChIKey is GNFNKZMZYBQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-18(25)8-7-17(22-23)14-3-5-15(6-4-14)19(26)21-12-16-11-20-13-24(16)9-10-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide is sourced from PubChem (CID 122563016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).