2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide

C18H18N4O2 — CID 71886791

IUPAC2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N(C)C)c2)c2cccnc12
InChIInChI=1S/C18H18N4O2/c1-22(2)16-11-12(8-10-19-16)18(23)21-14-6-7-15(24-3)17-13(14)5-4-9-20-17/h4-11H,1-3H3,(H,21,23)
InChIKeySTRBWCYSMMPXES-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.96
Rot. Bonds4

About 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide

2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide (PubChem CID 71886791) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
PubChem CID71886791
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N(C)C)c2)c2cccnc12
InChIInChI=1S/C18H18N4O2/c1-22(2)16-11-12(8-10-19-16)18(23)21-14-6-7-15(24-3)17-13(14)5-4-9-20-17/h4-11H,1-3H3,(H,21,23)
InChIKeySTRBWCYSMMPXES-UHFFFAOYSA-N
XLogP2.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
CID 26823129
methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate
CID 75429912
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
2-(3,4-dichlorophenyl)-N-(8-methoxyquinolin-5-yl)acetamide
CID 60575303

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide (CID 71886791) is 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(N(C)C)c2)c2cccnc12.
What is the InChIKey of 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide?
The InChIKey is STRBWCYSMMPXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22(2)16-11-12(8-10-19-16)18(23)21-14-6-7-15(24-3)17-13(14)5-4-9-20-17/h4-11H,1-3H3,(H,21,23).
What are the key properties of 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide?
2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 71886791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).