N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane

C19H29N3O — CID 143617083

IUPACN-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane
SMILESCC.CCN(CC)CCNC(=O)c1cc2c(C)cccc2cn1
InChIInChI=1S/C17H23N3O.C2H6/c1-4-20(5-2)10-9-18-17(21)16-11-15-13(3)7-6-8-14(15)12-19-16;1-2/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,21);1-2H3
InChIKeyHRFUJPYXABYQDG-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane

N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane (PubChem CID 143617083) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane
PubChem CID143617083
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane
SMILESCC.CCN(CC)CCNC(=O)c1cc2c(C)cccc2cn1
InChIInChI=1S/C17H23N3O.C2H6/c1-4-20(5-2)10-9-18-17(21)16-11-15-13(3)7-6-8-14(15)12-19-16;1-2/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,21);1-2H3
InChIKeyHRFUJPYXABYQDG-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide
CID 15431591
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146
N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 90664604
(2,5-dihydroxypyrrol-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]isoquinolin-6-yl]carbamate
CID 137153373
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane (CID 143617083) is N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane is CC.CCN(CC)CCNC(=O)c1cc2c(C)cccc2cn1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane?
The InChIKey is HRFUJPYXABYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C2H6/c1-4-20(5-2)10-9-18-17(21)16-11-15-13(3)7-6-8-14(15)12-19-16;1-2/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,21);1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane?
N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane has a molecular weight of 315.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane is sourced from PubChem (CID 143617083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).