N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide

C18H21N5O4 — CID 109277712

IUPACN-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(NCCN2CCOCC2)cn1
InChIInChI=1S/C18H21N5O4/c24-18(22-13-1-2-15-16(9-13)27-12-26-15)14-10-21-17(11-20-14)19-3-4-23-5-7-25-8-6-23/h1-2,9-11H,3-8,12H2,(H,19,21)(H,22,24)
InChIKeyPLYMSNGKNDSTII-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.20
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide (PubChem CID 109277712) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
PubChem CID109277712
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(NCCN2CCOCC2)cn1
InChIInChI=1S/C18H21N5O4/c24-18(22-13-1-2-15-16(9-13)27-12-26-15)14-10-21-17(11-20-14)19-3-4-23-5-7-25-8-6-23/h1-2,9-11H,3-8,12H2,(H,19,21)(H,22,24)
InChIKeyPLYMSNGKNDSTII-UHFFFAOYSA-N
XLogP1.20
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115624
N-(4-acetylphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277702
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
N-(3-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277688
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109277715
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide (CID 109277712) is N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnc(NCCN2CCOCC2)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide?
The InChIKey is PLYMSNGKNDSTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c24-18(22-13-1-2-15-16(9-13)27-12-26-15)14-10-21-17(11-20-14)19-3-4-23-5-7-25-8-6-23/h1-2,9-11H,3-8,12H2,(H,19,21)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).