3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide

C19H27ClN10O2 — CID 89136571

About 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide (PubChem CID 89136571) has the molecular formula C19H27ClN10O2 and a molecular weight of 462.95 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide
• PubChem CID: 89136571
• Molecular Formula: C19H27ClN10O2
• Molecular Weight: 462.95 g/mol
• Exact Mass: 462.20
• IUPAC Name: 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide
• SMILES: C=CN(/C=C\N)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2
• InChI: InChI=1S/C19H27ClN10O2/c1-2-29(10-6-21)7-3-12(31)30-8-4-19(5-9-30)11-24-18(28-19)27-17(32)13-15(22)26-16(23)14(20)25-13/h2,6,10H,1,3-5,7-9,11,21H2,(H4,22,23,26)(H2,24,27,28,32)/b10-6-
• InChIKey: GWHPGVULMOFHAK-POHAHGRESA-N
• XLogP: -0.39
• TPSA: 180.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.95
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide (CID 89136571) is 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide is C=CN(/C=C\N)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.

What is the InChIKey of 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide?

The InChIKey is GWHPGVULMOFHAK-POHAHGRESA-N. The full InChI is InChI=1S/C19H27ClN10O2/c1-2-29(10-6-21)7-3-12(31)30-8-4-19(5-9-30)11-24-18(28-19)27-17(32)13-15(22)26-16(23)14(20)25-13/h2,6,10H,1,3-5,7-9,11,21H2,(H4,22,23,26)(H2,24,27,28,32)/b10-6-.

What are the key properties of 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide?

3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide has a molecular weight of 462.95 g/mol, XLogP of -0.39, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 89136571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).