2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide

C17H17N5O — CID 72878914

IUPAC2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)Cc2cnc3ccccc3n2)cn1
InChIInChI=1S/C17H17N5O/c1-3-16-19-8-12(9-20-16)17(23)22(2)11-13-10-18-14-6-4-5-7-15(14)21-13/h4-10H,3,11H2,1-2H3
InChIKeyZDZYHRZUVAHBEV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.25
Rot. Bonds4

About 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide

2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 72878914) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID72878914
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)Cc2cnc3ccccc3n2)cn1
InChIInChI=1S/C17H17N5O/c1-3-16-19-8-12(9-20-16)17(23)22(2)11-13-10-18-14-6-4-5-7-15(14)21-13/h4-10H,3,11H2,1-2H3
InChIKeyZDZYHRZUVAHBEV-UHFFFAOYSA-N
XLogP2.25
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
CID 90647316
3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea
CID 131903776
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 77090443
N,N-dimethyl-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide
CID 167805171
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
CID 72891203
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 70715090
(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 72862355
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
ethyl N-(quinoxalin-2-ylmethyl)carbamate
CID 110869614

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide (CID 72878914) is 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(C)Cc2cnc3ccccc3n2)cn1.
What is the InChIKey of 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is ZDZYHRZUVAHBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-16-19-8-12(9-20-16)17(23)22(2)11-13-10-18-14-6-4-5-7-15(14)21-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide?
2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72878914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).