2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

C24H23N3O2 — CID 109085689

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(C(=O)N3CCc4ccccc4C3)c2)c1
InChIInChI=1S/C24H23N3O2/c1-17-5-4-6-18(13-17)15-26-23(28)20-9-11-25-22(14-20)24(29)27-12-10-19-7-2-3-8-21(19)16-27/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,26,28)
InChIKeyAGPNLHGSXFXBPZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.52
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109085689) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109085689
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(C(=O)N3CCc4ccccc4C3)c2)c1
InChIInChI=1S/C24H23N3O2/c1-17-5-4-6-18(13-17)15-26-23(28)20-9-11-25-22(14-20)24(29)27-12-10-19-7-2-3-8-21(19)16-27/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,26,28)
InChIKeyAGPNLHGSXFXBPZ-UHFFFAOYSA-N
XLogP3.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-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

2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109085025
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide
CID 109078832
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109087857
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210211
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (CID 109085689) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(C(=O)N3CCc4ccccc4C3)c2)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is AGPNLHGSXFXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-5-4-6-18(13-17)15-26-23(28)20-9-11-25-22(14-20)24(29)27-12-10-19-7-2-3-8-21(19)16-27/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,26,28).
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).