N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

C26H27N3O4 — CID 15997043

IUPACN-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)N(C)Cc1ccccc1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C26H27N3O4/c1-28(16-17-9-6-5-7-10-17)26(31)23-19-13-21(32-3)22(33-4)14-20(19)25(30)29(2)24(23)18-11-8-12-27-15-18/h5-15,23-24H,16H2,1-4H3
InChIKeyACJUMISZHGMFOV-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.67
Rot. Bonds6

About N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 15997043) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID15997043
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)N(C)Cc1ccccc1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C26H27N3O4/c1-28(16-17-9-6-5-7-10-17)26(31)23-19-13-21(32-3)22(33-4)14-20(19)25(30)29(2)24(23)18-11-8-12-27-15-18/h5-15,23-24H,16H2,1-4H3
InChIKeyACJUMISZHGMFOV-UHFFFAOYSA-N
XLogP3.67
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (CID 15997043) is N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is COc1cc2c(cc1OC)C(C(=O)N(C)Cc1ccccc1)C(c1cccnc1)N(C)C2=O.
What is the InChIKey of N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is ACJUMISZHGMFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-28(16-17-9-6-5-7-10-17)26(31)23-19-13-21(32-3)22(33-4)14-20(19)25(30)29(2)24(23)18-11-8-12-27-15-18/h5-15,23-24H,16H2,1-4H3.
What are the key properties of N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dimethoxy-N,2-dimethyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 15997043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).