1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide

C21H24N4O3 — CID 46846938

IUPAC1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
SMILESCOc1cc(OC)c2c(CN)ncc(C(=O)N(C)CCc3ccccn3)c2c1
InChIInChI=1S/C21H24N4O3/c1-25(9-7-14-6-4-5-8-23-14)21(26)17-13-24-18(12-22)20-16(17)10-15(27-2)11-19(20)28-3/h4-6,8,10-11,13H,7,9,12,22H2,1-3H3
InChIKeyPYFDYJAMZZAIGH-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.42
Rot. Bonds7

About 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide

1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide (PubChem CID 46846938) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
PubChem CID46846938
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
SMILESCOc1cc(OC)c2c(CN)ncc(C(=O)N(C)CCc3ccccn3)c2c1
InChIInChI=1S/C21H24N4O3/c1-25(9-7-14-6-4-5-8-23-14)21(26)17-13-24-18(12-22)20-16(17)10-15(27-2)11-19(20)28-3/h4-6,8,10-11,13H,7,9,12,22H2,1-3H3
InChIKeyPYFDYJAMZZAIGH-UHFFFAOYSA-N
XLogP2.42
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
tert-butyl N-[[4-[benzyl(methyl)carbamoyl]-6,8-dimethoxyisoquinolin-1-yl]methyl]carbamate
CID 68614645
7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 46998816
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 91147175

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide (CID 46846938) is 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide is COc1cc(OC)c2c(CN)ncc(C(=O)N(C)CCc3ccccn3)c2c1.
What is the InChIKey of 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
The InChIKey is PYFDYJAMZZAIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-25(9-7-14-6-4-5-8-23-14)21(26)17-13-24-18(12-22)20-16(17)10-15(27-2)11-19(20)28-3/h4-6,8,10-11,13H,7,9,12,22H2,1-3H3.
What are the key properties of 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 46846938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).