N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide

C15H16N4O — CID 104578300

IUPACN-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H16N4O/c1-11(2)19(10-4-7-16)15(20)12-5-3-6-13-14(12)18-9-8-17-13/h3,5-6,8-9,11H,4,10H2,1-2H3
InChIKeyLLKXGVAELZQJGF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.39
Rot. Bonds4

About N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide

N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide (PubChem CID 104578300) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide
PubChem CID104578300
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H16N4O/c1-11(2)19(10-4-7-16)15(20)12-5-3-6-13-14(12)18-9-8-17-13/h3,5-6,8-9,11H,4,10H2,1-2H3
InChIKeyLLKXGVAELZQJGF-UHFFFAOYSA-N
XLogP2.39
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide
CID 104578268
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
N-(2-cyanoethyl)-2-hydroxy-3-nitro-N-propan-2-ylbenzamide
CID 102741601
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide (CID 104578300) is N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide is CC(C)N(CCC#N)C(=O)c1cccc2nccnc12.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide?
The InChIKey is LLKXGVAELZQJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(2)19(10-4-7-16)15(20)12-5-3-6-13-14(12)18-9-8-17-13/h3,5-6,8-9,11H,4,10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide?
N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 104578300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).