N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide

C12H16N4O — CID 103636019

IUPACN-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC#N)C(C)C)cn1
InChIInChI=1S/C12H16N4O/c1-9(2)16(6-4-5-13)12(17)11-8-14-10(3)7-15-11/h7-9H,4,6H2,1-3H3
InChIKeyNHEPMOPRSDZEMV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.55
Rot. Bonds4

About N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide

N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 103636019) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID103636019
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC#N)C(C)C)cn1
InChIInChI=1S/C12H16N4O/c1-9(2)16(6-4-5-13)12(17)11-8-14-10(3)7-15-11/h7-9H,4,6H2,1-3H3
InChIKeyNHEPMOPRSDZEMV-UHFFFAOYSA-N
XLogP1.55
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-cyanoethyl(propan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 54996635
N-(2-cyanoethyl)-4-hydrazinyl-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 81256489
N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 103859688
5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 54917156
N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 62866184
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 62865824
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
N-(2-cyanoethyl)-2,4-difluoro-5-methyl-N-propan-2-ylbenzamide
CID 112696491
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide (CID 103636019) is N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC#N)C(C)C)cn1.
What is the InChIKey of N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is NHEPMOPRSDZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)16(6-4-5-13)12(17)11-8-14-10(3)7-15-11/h7-9H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide?
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 103636019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).