6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide

C18H17N3O3 — CID 172892804

IUPAC6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C)c(C(=O)NCc3ccncc3)cc2c1
InChIInChI=1S/C18H17N3O3/c1-21-16(17(22)20-11-12-5-7-19-8-6-12)10-13-9-14(24-2)3-4-15(13)18(21)23/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyOFABCOPOELRXIG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.87
Rot. Bonds4

About 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide

6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide (PubChem CID 172892804) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
PubChem CID172892804
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C)c(C(=O)NCc3ccncc3)cc2c1
InChIInChI=1S/C18H17N3O3/c1-21-16(17(22)20-11-12-5-7-19-8-6-12)10-13-9-14(24-2)3-4-15(13)18(21)23/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyOFABCOPOELRXIG-UHFFFAOYSA-N
XLogP1.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide
CID 175651711
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371405
N-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984704
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 4975348
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide (CID 172892804) is 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide is COc1ccc2c(=O)n(C)c(C(=O)NCc3ccncc3)cc2c1.
What is the InChIKey of 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide?
The InChIKey is OFABCOPOELRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-16(17(22)20-11-12-5-7-19-8-6-12)10-13-9-14(24-2)3-4-15(13)18(21)23/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide?
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 172892804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).