N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide

C15H18N6O2 — CID 118738960

IUPACN-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide
SMILESCC(=O)N1Cc2nccn2CC(CNC(=O)c2cnccn2)C1
InChIInChI=1S/C15H18N6O2/c1-11(22)21-9-12(8-20-5-4-18-14(20)10-21)6-19-15(23)13-7-16-2-3-17-13/h2-5,7,12H,6,8-10H2,1H3,(H,19,23)
InChIKeyYIHNDQXYEZFGHJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.08
Rot. Bonds3

About N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide

N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide (PubChem CID 118738960) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide
PubChem CID118738960
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide
SMILESCC(=O)N1Cc2nccn2CC(CNC(=O)c2cnccn2)C1
InChIInChI=1S/C15H18N6O2/c1-11(22)21-9-12(8-20-5-4-18-14(20)10-21)6-19-15(23)13-7-16-2-3-17-13/h2-5,7,12H,6,8-10H2,1H3,(H,19,23)
InChIKeyYIHNDQXYEZFGHJ-UHFFFAOYSA-N
XLogP0.08
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide (CID 118738960) is N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide is CC(=O)N1Cc2nccn2CC(CNC(=O)c2cnccn2)C1.
What is the InChIKey of N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is YIHNDQXYEZFGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-11(22)21-9-12(8-20-5-4-18-14(20)10-21)6-19-15(23)13-7-16-2-3-17-13/h2-5,7,12H,6,8-10H2,1H3,(H,19,23).
What are the key properties of N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide?
N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118738960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).