N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide

C23H24N4O — CID 119071188

IUPACN-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)Cc3ccc4c(c3)CN(C)C4)cc2)nn1
InChIInChI=1S/C23H24N4O/c1-16-4-11-22(25-24-16)18-7-9-19(10-8-18)23(28)27(3)13-17-5-6-20-14-26(2)15-21(20)12-17/h4-12H,13-15H2,1-3H3
InChIKeyBJTIUWWEKVYADB-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide

N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide (PubChem CID 119071188) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
PubChem CID119071188
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)Cc3ccc4c(c3)CN(C)C4)cc2)nn1
InChIInChI=1S/C23H24N4O/c1-16-4-11-22(25-24-16)18-7-9-19(10-8-18)23(28)27(3)13-17-5-6-20-14-26(2)15-21(20)12-17/h4-12H,13-15H2,1-3H3
InChIKeyBJTIUWWEKVYADB-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
CID 122559119
formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide
CID 154908958
N,N-dimethyl-4-[2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]benzamide
CID 66963765
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
CID 126443036
N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
CID 122559379
1-methyl-1-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 126444909
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
CID 70742720
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646
2-ethoxy-N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide;formic acid
CID 154909390

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide (CID 119071188) is N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)N(C)Cc3ccc4c(c3)CN(C)C4)cc2)nn1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is BJTIUWWEKVYADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-4-11-22(25-24-16)18-7-9-19(10-8-18)23(28)27(3)13-17-5-6-20-14-26(2)15-21(20)12-17/h4-12H,13-15H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide?
N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 119071188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).