1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide

C15H17N5O2 — CID 170023223

IUPAC1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCOCCCNC(=O)c1cn2c(nc3ccccc32)c(N)n1
InChIInChI=1S/C15H17N5O2/c1-22-8-4-7-17-15(21)11-9-20-12-6-3-2-5-10(12)19-14(20)13(16)18-11/h2-3,5-6,9H,4,7-8H2,1H3,(H2,16,18)(H,17,21)
InChIKeyJTHWUGMICGEMQI-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.23
Rot. Bonds5

About 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide

1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 170023223) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID170023223
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCOCCCNC(=O)c1cn2c(nc3ccccc32)c(N)n1
InChIInChI=1S/C15H17N5O2/c1-22-8-4-7-17-15(21)11-9-20-12-6-3-2-5-10(12)19-14(20)13(16)18-11/h2-3,5-6,9H,4,7-8H2,1H3,(H2,16,18)(H,17,21)
InChIKeyJTHWUGMICGEMQI-UHFFFAOYSA-N
XLogP1.23
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
Pimefyllin
CID 65597
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66574145
N-phenyl-6-(pyrid-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68779277
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 163215620
1-amino-N-(pyridin-3-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168297484
N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 4876863

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 170023223) is 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide is COCCCNC(=O)c1cn2c(nc3ccccc32)c(N)n1.
What is the InChIKey of 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is JTHWUGMICGEMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-22-8-4-7-17-15(21)11-9-20-12-6-3-2-5-10(12)19-14(20)13(16)18-11/h2-3,5-6,9H,4,7-8H2,1H3,(H2,16,18)(H,17,21).
What are the key properties of 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide?
1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methoxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 170023223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).