ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine

C19H23N3 — CID 171557532

IUPACethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
SMILESCC.CCc1cc(Nc2ccc3cnccc3c2)ncc1C
InChIInChI=1S/C17H17N3.C2H6/c1-3-13-9-17(19-10-12(13)2)20-16-5-4-15-11-18-7-6-14(15)8-16;1-2/h4-11H,3H2,1-2H3,(H,19,20);1-2H3
InChIKeyBTOPVPJZSVARMX-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.27
Rot. Bonds3

About ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine

ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine (PubChem CID 171557532) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine.

Molecular Properties

Compound Nameethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
PubChem CID171557532
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Nameethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
SMILESCC.CCc1cc(Nc2ccc3cnccc3c2)ncc1C
InChIInChI=1S/C17H17N3.C2H6/c1-3-13-9-17(19-10-12(13)2)20-16-5-4-15-11-18-7-6-14(15)8-16;1-2/h4-11H,3H2,1-2H3,(H,19,20);1-2H3
InChIKeyBTOPVPJZSVARMX-UHFFFAOYSA-N
XLogP5.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine
CID 177055978
2-[2-[2-[[2-(isoquinolin-6-ylamino)-5-methyl-4-pyridinyl]oxy]ethoxy]ethoxy]ethanol
CID 165371566
N-(5-bromo-2-pyridinyl)isoquinolin-6-amine
CID 134194515
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
N-isoquinolin-6-ylbutanamide
CID 118007953
N-(6-methyl-3-pyridinyl)isoquinolin-7-amine
CID 160767856
4-N-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine
CID 114250635
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
ethane;6-methylisoquinoline
CID 145106291
4-ethyl-5-methylpyridin-2-amine
CID 20612507
N-(1,3-benzodioxol-5-yl)isoquinolin-6-amine
CID 82582591

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine?
The IUPAC name of ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine (CID 171557532) is ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine.
What is the SMILES notation for ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine?
The canonical SMILES for ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine is CC.CCc1cc(Nc2ccc3cnccc3c2)ncc1C.
What is the InChIKey of ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine?
The InChIKey is BTOPVPJZSVARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.C2H6/c1-3-13-9-17(19-10-12(13)2)20-16-5-4-15-11-18-7-6-14(15)8-16;1-2/h4-11H,3H2,1-2H3,(H,19,20);1-2H3.
What are the key properties of ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine?
ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine has a molecular weight of 293.41 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine is sourced from PubChem (CID 171557532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).