2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide

C23H21N3O3 — CID 109087925

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)N3CCc4ccccc4C3)c2)cc1
InChIInChI=1S/C23H21N3O3/c1-29-20-8-6-19(7-9-20)25-22(27)17-10-12-24-21(14-17)23(28)26-13-11-16-4-2-3-5-18(16)15-26/h2-10,12,14H,11,13,15H2,1H3,(H,25,27)
InChIKeyBREDZNZMSVIGFG-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.54
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109087925) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109087925
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)N3CCc4ccccc4C3)c2)cc1
InChIInChI=1S/C23H21N3O3/c1-29-20-8-6-19(7-9-20)25-22(27)17-10-12-24-21(14-17)23(28)26-13-11-16-4-2-3-5-18(16)15-26/h2-10,12,14H,11,13,15H2,1H3,(H,25,27)
InChIKeyBREDZNZMSVIGFG-UHFFFAOYSA-N
XLogP3.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide
CID 109078832
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109087857
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methoxyanilino)-4-pyridinyl]methanone
CID 109172363
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 109087925) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(C(=O)N3CCc4ccccc4C3)c2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is BREDZNZMSVIGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-20-8-6-19(7-9-20)25-22(27)17-10-12-24-21(14-17)23(28)26-13-11-16-4-2-3-5-18(16)15-26/h2-10,12,14H,11,13,15H2,1H3,(H,25,27).
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109087925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).