1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide

C21H22N4O3 — CID 92635626

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N(C)Cc2ccc3ncccc3c2)ccc1=O
InChIInChI=1S/C21H22N4O3/c1-23(2)20(27)14-25-13-17(7-9-19(25)26)21(28)24(3)12-15-6-8-18-16(11-15)5-4-10-22-18/h4-11,13H,12,14H2,1-3H3
InChIKeyDMDDXXLHTJEMTN-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.76
Rot. Bonds5

About 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide (PubChem CID 92635626) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
PubChem CID92635626
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N(C)Cc2ccc3ncccc3c2)ccc1=O
InChIInChI=1S/C21H22N4O3/c1-23(2)20(27)14-25-13-17(7-9-19(25)26)21(28)24(3)12-15-6-8-18-16(11-15)5-4-10-22-18/h4-11,13H,12,14H2,1-3H3
InChIKeyDMDDXXLHTJEMTN-UHFFFAOYSA-N
XLogP1.76
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635136
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 42371656
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide (CID 92635626) is 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide is CN(C)C(=O)Cn1cc(C(=O)N(C)Cc2ccc3ncccc3c2)ccc1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DMDDXXLHTJEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-23(2)20(27)14-25-13-17(7-9-19(25)26)21(28)24(3)12-15-6-8-18-16(11-15)5-4-10-22-18/h4-11,13H,12,14H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92635626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).