2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide

C22H24N6O — CID 166787116

IUPAC2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
SMILESCc1ncc(-c2ccc3c(c2)C=C(NC(=O)c2ccnc(N(C)C)c2)NC3)n1C
InChIInChI=1S/C22H24N6O/c1-14-24-13-19(28(14)4)15-5-6-17-12-25-20(10-18(17)9-15)26-22(29)16-7-8-23-21(11-16)27(2)3/h5-11,13,25H,12H2,1-4H3,(H,26,29)
InChIKeyXKIASFZTDBUSMP-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.69
Rot. Bonds4

About 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide

2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide (PubChem CID 166787116) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
PubChem CID166787116
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
SMILESCc1ncc(-c2ccc3c(c2)C=C(NC(=O)c2ccnc(N(C)C)c2)NC3)n1C
InChIInChI=1S/C22H24N6O/c1-14-24-13-19(28(14)4)15-5-6-17-12-25-20(10-18(17)9-15)26-22(29)16-7-8-23-21(11-16)27(2)3/h5-11,13,25H,12H2,1-4H3,(H,26,29)
InChIKeyXKIASFZTDBUSMP-UHFFFAOYSA-N
XLogP2.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590113
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 167812323
N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide
CID 60610002
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
2-(dimethylamino)-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115869951
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489
5-(2,3-dimethylimidazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 139448036
N-[6-(2,3-dimethylimidazol-4-yl)-1,5-naphthyridin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138589015
2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride
CID 120945876

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide (CID 166787116) is 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide is Cc1ncc(-c2ccc3c(c2)C=C(NC(=O)c2ccnc(N(C)C)c2)NC3)n1C.
What is the InChIKey of 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
The InChIKey is XKIASFZTDBUSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-24-13-19(28(14)4)15-5-6-17-12-25-20(10-18(17)9-15)26-22(29)16-7-8-23-21(11-16)27(2)3/h5-11,13,25H,12H2,1-4H3,(H,26,29).
What are the key properties of 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-1,2-dihydroisoquinolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 166787116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).