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

C14H21N5O2 — CID 30478622

IUPAC3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C14H21N5O2/c15-13-12(16-7-8-17-13)14(21)18-6-4-10-19-9-3-1-2-5-11(19)20/h7-8H,1-6,9-10H2,(H2,15,17)(H,18,21)
InChIKeyAYAFINREYPVKME-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.58
Rot. Bonds5

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

3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 30478622) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID30478622
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C14H21N5O2/c15-13-12(16-7-8-17-13)14(21)18-6-4-10-19-9-3-1-2-5-11(19)20/h7-8H,1-6,9-10H2,(H2,15,17)(H,18,21)
InChIKeyAYAFINREYPVKME-UHFFFAOYSA-N
XLogP0.58
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide (CID 30478622) is 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCCCN1CCCCCC1=O.
What is the InChIKey of 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is AYAFINREYPVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-13-12(16-7-8-17-13)14(21)18-6-4-10-19-9-3-1-2-5-11(19)20/h7-8H,1-6,9-10H2,(H2,15,17)(H,18,21).
What are the key properties of 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide?
3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-oxoazepan-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 30478622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).