N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide

C10H15N5O2 — CID 107374531

IUPACN-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCCNC(C)=O)cn1
InChIInChI=1S/C10H15N5O2/c1-7(16)12-3-4-13-10(17)8-5-15-9(11-2)6-14-8/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)
InChIKeyDPSIAUZBEZOYHM-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.62
Rot. Bonds5

About N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide

N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107374531) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107374531
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCCNC(C)=O)cn1
InChIInChI=1S/C10H15N5O2/c1-7(16)12-3-4-13-10(17)8-5-15-9(11-2)6-14-8/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)
InChIKeyDPSIAUZBEZOYHM-UHFFFAOYSA-N
XLogP-0.62
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide
CID 114175973
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-(methylamino)-N-(2-methylbutyl)pyrazine-2-carboxamide
CID 107375458
5-(methylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 107374273
5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
CID 107374698
N-(2,2-dicyclopropylethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375993
N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
5-(methylamino)-N-(pyridazin-3-ylmethyl)pyrazine-2-carboxamide
CID 107377345
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
CID 107375938
N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375834

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107374531) is N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)NCCNC(C)=O)cn1.
What is the InChIKey of N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is DPSIAUZBEZOYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7(16)12-3-4-13-10(17)8-5-15-9(11-2)6-14-8/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,16)(H,13,17).
What are the key properties of N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).