5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide

C13H18N4O2 — CID 91909427

IUPAC5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCCCC(=O)N2)cn1
InChIInChI=1S/C13H18N4O2/c1-9-6-15-11(8-14-9)13(19)16-7-10-4-2-3-5-12(18)17-10/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyMAEIUYVGZMRWBZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.57
Rot. Bonds3

About 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide

5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 91909427) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID91909427
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCCCC(=O)N2)cn1
InChIInChI=1S/C13H18N4O2/c1-9-6-15-11(8-14-9)13(19)16-7-10-4-2-3-5-12(18)17-10/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyMAEIUYVGZMRWBZ-UHFFFAOYSA-N
XLogP0.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide (CID 91909427) is 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2CCCCC(=O)N2)cn1.
What is the InChIKey of 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is MAEIUYVGZMRWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-6-15-11(8-14-9)13(19)16-7-10-4-2-3-5-12(18)17-10/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide?
5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91909427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).