5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide

C18H20N4O3 — CID 109273911

IUPAC5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H20N4O3/c23-18(22-13-3-1-2-4-13)14-9-21-17(10-19-14)20-8-12-5-6-15-16(7-12)25-11-24-15/h5-7,9-10,13H,1-4,8,11H2,(H,20,21)(H,22,23)
InChIKeyRVPXVBPXLFDEDF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide

5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide (PubChem CID 109273911) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide
PubChem CID109273911
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C18H20N4O3/c23-18(22-13-3-1-2-4-13)14-9-21-17(10-19-14)20-8-12-5-6-15-16(7-12)25-11-24-15/h5-7,9-10,13H,1-4,8,11H2,(H,20,21)(H,22,23)
InChIKeyRVPXVBPXLFDEDF-UHFFFAOYSA-N
XLogP2.49
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179867
5-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277751
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276045
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298799
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
5-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282177
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109273905
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
CID 18133007
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide (CID 109273911) is 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide is O=C(NC1CCCC1)c1cnc(NCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide?
The InChIKey is RVPXVBPXLFDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(22-13-3-1-2-4-13)14-9-21-17(10-19-14)20-8-12-5-6-15-16(7-12)25-11-24-15/h5-7,9-10,13H,1-4,8,11H2,(H,20,21)(H,22,23).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide?
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide is sourced from PubChem (CID 109273911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).