N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride

C19H26ClN7O3 — CID 18671942

About N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride

N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride (PubChem CID 18671942) has the molecular formula C19H26ClN7O3 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride
• PubChem CID: 18671942
• Molecular Formula: C19H26ClN7O3
• Molecular Weight: 435.92 g/mol
• Exact Mass: 435.18
• IUPAC Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride
• SMILES: Cc1cnc(NC2Cc3ccccc3C2)c(=O)n1CC(=O)NCCON=C(N)N.Cl
• InChI: InChI=1S/C19H25N7O3.ClH/c1-12-10-23-17(24-15-8-13-4-2-3-5-14(13)9-15)18(28)26(12)11-16(27)22-6-7-29-25-19(20)21;/h2-5,10,15H,6-9,11H2,1H3,(H,22,27)(H,23,24)(H4,20,21,25);1H
• InChIKey: BCXAOUXIJNTTSB-UHFFFAOYSA-N
• XLogP: -0.13
• TPSA: 149.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.92
LogP ≤ 5	-0.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride?

The IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride (CID 18671942) is N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride.

What is the SMILES notation for N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride?

The canonical SMILES for N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride is Cc1cnc(NC2Cc3ccccc3C2)c(=O)n1CC(=O)NCCON=C(N)N.Cl.

What is the InChIKey of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride?

The InChIKey is BCXAOUXIJNTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3.ClH/c1-12-10-23-17(24-15-8-13-4-2-3-5-14(13)9-15)18(28)26(12)11-16(27)22-6-7-29-25-19(20)21;/h2-5,10,15H,6-9,11H2,1H3,(H,22,27)(H,23,24)(H4,20,21,25);1H.

What are the key properties of N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride?

N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride has a molecular weight of 435.92 g/mol, XLogP of -0.13, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-(2,3-dihydro-1H-inden-2-ylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 18671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).