N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

C24H21N3O3 — CID 56716133

IUPACN-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)C1Cc3ccccc3O1)CC2)c1ccncc1
InChIInChI=1S/C24H21N3O3/c28-23(17-7-10-25-11-8-17)26-20-6-5-16-9-12-27(15-19(16)13-20)24(29)22-14-18-3-1-2-4-21(18)30-22/h1-8,10-11,13,22H,9,12,14-15H2,(H,26,28)
InChIKeyDJCOJYPKLMEFCA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.22
Rot. Bonds3

About N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide (PubChem CID 56716133) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
PubChem CID56716133
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)C1Cc3ccccc3O1)CC2)c1ccncc1
InChIInChI=1S/C24H21N3O3/c28-23(17-7-10-25-11-8-17)26-20-6-5-16-9-12-27(15-19(16)13-20)24(29)22-14-18-3-1-2-4-21(18)30-22/h1-8,10-11,13,22H,9,12,14-15H2,(H,26,28)
InChIKeyDJCOJYPKLMEFCA-UHFFFAOYSA-N
XLogP3.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-[(E)-3-pyridin-3-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 42198262
N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 26396591
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99936128
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 95712640
3,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943514
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propan-2-yloxybenzamide
CID 16943470
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796963
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 95570301
4-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 37443470
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide
CID 16942827

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide (CID 56716133) is N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)CN(C(=O)C1Cc3ccccc3O1)CC2)c1ccncc1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
The InChIKey is DJCOJYPKLMEFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(17-7-10-25-11-8-17)26-20-6-5-16-9-12-27(15-19(16)13-20)24(29)22-14-18-3-1-2-4-21(18)30-22/h1-8,10-11,13,22H,9,12,14-15H2,(H,26,28).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56716133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).