N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide

C12H17N3O — CID 89464122

IUPACN-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide
SMILESC=C1NC=CN=C1C(=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O/c1-9-11(14-8-7-13-9)12(16)15-10-5-3-2-4-6-10/h7-8,10,13H,1-6H2,(H,15,16)
InChIKeyCJZCNISKNFNKMS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.46
Rot. Bonds2

About N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide

N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide (PubChem CID 89464122) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide
PubChem CID89464122
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide
SMILESC=C1NC=CN=C1C(=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O/c1-9-11(14-8-7-13-9)12(16)15-10-5-3-2-4-6-10/h7-8,10,13H,1-6H2,(H,15,16)
InChIKeyCJZCNISKNFNKMS-UHFFFAOYSA-N
XLogP1.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide (CID 89464122) is N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide is C=C1NC=CN=C1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide?
The InChIKey is CJZCNISKNFNKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11(14-8-7-13-9)12(16)15-10-5-3-2-4-6-10/h7-8,10,13H,1-6H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide?
N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylidene-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 89464122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).