ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol

C27H34N4O2 — CID 143560062

IUPACethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol
SMILESC.CC.CCc1ccnc(C(N)=O)c1.Cc1ccc(Nc2ncc(O)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O.C8H10N2O.C2H6.CH4/c1-11-6-8-12(9-7-11)18-16-14-5-3-2-4-13(14)15(19)10-17-16;1-2-6-3-4-10-7(5-6)8(9)11;1-2;/h2-10,19H,1H3,(H,17,18);3-5H,2H2,1H3,(H2,9,11);1-2H3;1H4
InChIKeyYUSDRHHWQCMSKO-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.40
Rot. Bonds4

About ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol

ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol (PubChem CID 143560062) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol.

Molecular Properties

Compound Nameethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol
PubChem CID143560062
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Nameethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol
SMILESC.CC.CCc1ccnc(C(N)=O)c1.Cc1ccc(Nc2ncc(O)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O.C8H10N2O.C2H6.CH4/c1-11-6-8-12(9-7-11)18-16-14-5-3-2-4-13(14)15(19)10-17-16;1-2-6-3-4-10-7(5-6)8(9)11;1-2;/h2-10,19H,1H3,(H,17,18);3-5H,2H2,1H3,(H2,9,11);1-2H3;1H4
InChIKeyYUSDRHHWQCMSKO-UHFFFAOYSA-N
XLogP6.40
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol?
The IUPAC name of ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol (CID 143560062) is ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol.
What is the SMILES notation for ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol?
The canonical SMILES for ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol is C.CC.CCc1ccnc(C(N)=O)c1.Cc1ccc(Nc2ncc(O)c3ccccc23)cc1.
What is the InChIKey of ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol?
The InChIKey is YUSDRHHWQCMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C8H10N2O.C2H6.CH4/c1-11-6-8-12(9-7-11)18-16-14-5-3-2-4-13(14)15(19)10-17-16;1-2-6-3-4-10-7(5-6)8(9)11;1-2;/h2-10,19H,1H3,(H,17,18);3-5H,2H2,1H3,(H2,9,11);1-2H3;1H4.
What are the key properties of ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol?
ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol has a molecular weight of 446.60 g/mol, XLogP of 6.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylpyridine-2-carboxamide;methane;1-(4-methylanilino)isoquinolin-4-ol is sourced from PubChem (CID 143560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).