N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide

C24H23N3O2 — CID 109105429

IUPACN-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C24H23N3O2/c1-26(16-18-7-3-2-4-8-18)23(28)21-13-22(15-25-14-21)24(29)27-12-11-19-9-5-6-10-20(19)17-27/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyWCUYOKPFICMIDR-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.55
Rot. Bonds4

About N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide

N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide (PubChem CID 109105429) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
PubChem CID109105429
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C24H23N3O2/c1-26(16-18-7-3-2-4-8-18)23(28)21-13-22(15-25-14-21)24(29)27-12-11-19-9-5-6-10-20(19)17-27/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyWCUYOKPFICMIDR-UHFFFAOYSA-N
XLogP3.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
CID 109102324
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-3-carboxamide
CID 109101756
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
N-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-3-oxopropanamide
CID 108946045
3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109235348
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
4-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230887
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide (CID 109105429) is N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cncc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide?
The InChIKey is WCUYOKPFICMIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-26(16-18-7-3-2-4-8-18)23(28)21-13-22(15-25-14-21)24(29)27-12-11-19-9-5-6-10-20(19)17-27/h2-10,13-15H,11-12,16-17H2,1H3.
What are the key properties of N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide?
N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).