N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide

C13H17N5O2 — CID 56720597

IUPACN-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N5O2/c1-9(2)18(8-11-14-4-5-17(11)3)13(20)10-6-16-12(19)7-15-10/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyZGQYZYDQFOPIQB-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.55
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide (PubChem CID 56720597) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
PubChem CID56720597
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N5O2/c1-9(2)18(8-11-14-4-5-17(11)3)13(20)10-6-16-12(19)7-15-10/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyZGQYZYDQFOPIQB-UHFFFAOYSA-N
XLogP0.55
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide (CID 56720597) is N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
The InChIKey is ZGQYZYDQFOPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(2)18(8-11-14-4-5-17(11)3)13(20)10-6-16-12(19)7-15-10/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 56720597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).