N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C20H26N4O2 — CID 126790211

IUPACN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCN(C)CCOc1cc(CNC(=O)C2CCCc3cccnc32)ccn1
InChIInChI=1S/C20H26N4O2/c1-24(2)11-12-26-18-13-15(8-10-21-18)14-23-20(25)17-7-3-5-16-6-4-9-22-19(16)17/h4,6,8-10,13,17H,3,5,7,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNSGBNCPDLYXJEK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.15
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 126790211) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID126790211
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCN(C)CCOc1cc(CNC(=O)C2CCCc3cccnc32)ccn1
InChIInChI=1S/C20H26N4O2/c1-24(2)11-12-26-18-13-15(8-10-21-18)14-23-20(25)17-7-3-5-16-6-4-9-22-19(16)17/h4,6,8-10,13,17H,3,5,7,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNSGBNCPDLYXJEK-UHFFFAOYSA-N
XLogP2.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
CID 99842190
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 126768498
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 102950203
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124627825
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 126790211) is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is CN(C)CCOc1cc(CNC(=O)C2CCCc3cccnc32)ccn1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is NSGBNCPDLYXJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(2)11-12-26-18-13-15(8-10-21-18)14-23-20(25)17-7-3-5-16-6-4-9-22-19(16)17/h4,6,8-10,13,17H,3,5,7,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 126790211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).