6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

C24H24N4O4 — CID 3245744

IUPAC6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)Nc1cccc(C)n1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C24H24N4O4/c1-14-7-5-9-20(26-14)27-23(29)21-16-11-18(31-3)19(32-4)12-17(16)24(30)28(2)22(21)15-8-6-10-25-13-15/h5-13,21-22H,1-4H3,(H,26,27,29)
InChIKeyYZHNTCMHCNIXKH-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.35
Rot. Bonds5

About 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 3245744) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID3245744
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)Nc1cccc(C)n1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C24H24N4O4/c1-14-7-5-9-20(26-14)27-23(29)21-16-11-18(31-3)19(32-4)12-17(16)24(30)28(2)22(21)15-8-6-10-25-13-15/h5-13,21-22H,1-4H3,(H,26,27,29)
InChIKeyYZHNTCMHCNIXKH-UHFFFAOYSA-N
XLogP3.35
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (CID 3245744) is 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is COc1cc2c(cc1OC)C(C(=O)Nc1cccc(C)n1)C(c1cccnc1)N(C)C2=O.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is YZHNTCMHCNIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-7-5-9-20(26-14)27-23(29)21-16-11-18(31-3)19(32-4)12-17(16)24(30)28(2)22(21)15-8-6-10-25-13-15/h5-13,21-22H,1-4H3,(H,26,27,29).
What are the key properties of 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3245744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).