3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide

C13H19N5O2 — CID 47191153

IUPAC3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C13H19N5O2/c14-12-11(15-5-6-16-12)13(20)17-7-9-18-8-3-1-2-4-10(18)19/h5-6H,1-4,7-9H2,(H2,14,16)(H,17,20)
InChIKeyASUINBZVNIPQQL-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.19
Rot. Bonds4

About 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide

3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 47191153) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID47191153
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C13H19N5O2/c14-12-11(15-5-6-16-12)13(20)17-7-9-18-8-3-1-2-4-10(18)19/h5-6H,1-4,7-9H2,(H2,14,16)(H,17,20)
InChIKeyASUINBZVNIPQQL-UHFFFAOYSA-N
XLogP0.19
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
6-amino-N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 91789503
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 39513622
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
4-oxo-4-[2-(2-oxoazepan-1-yl)ethylamino]but-2-enoic acid
CID 157315369
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide (CID 47191153) is 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ASUINBZVNIPQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-12-11(15-5-6-16-12)13(20)17-7-9-18-8-3-1-2-4-10(18)19/h5-6H,1-4,7-9H2,(H2,14,16)(H,17,20).
What are the key properties of 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47191153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).