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

IUPAC3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide
SMILESC=CN(/C=C\N)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2
InChIInChI=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-
InChIKeyGWHPGVULMOFHAK-POHAHGRESA-N
MW462.95 g/mol
LogP-0.39
Rot. Bonds6

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 Name3,5-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 CID89136571
Molecular FormulaC19H27ClN10O2
Molecular Weight462.95 g/mol
Exact Mass462.20
IUPAC Name3,5-diamino-N-[8-[3-[[(Z)-2-aminoethenyl]-ethenylamino]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide
SMILESC=CN(/C=C\N)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2
InChIInChI=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-
InChIKeyGWHPGVULMOFHAK-POHAHGRESA-N
XLogP-0.39
TPSA180.88 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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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).