3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide

C13H18ClN7O — CID 59334205

IUPAC3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NCC3(CCCCC3)N2)nc1Cl
InChIInChI=1S/C13H18ClN7O/c14-8-10(16)19-9(15)7(18-8)11(22)20-12-17-6-13(21-12)4-2-1-3-5-13/h1-6H2,(H4,15,16,19)(H2,17,20,21,22)
InChIKeyQGLMCBPCRLJZDM-UHFFFAOYSA-N
MW323.79 g/mol
LogP0.69
Rot. Bonds1

About 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide (PubChem CID 59334205) has the molecular formula C13H18ClN7O and a molecular weight of 323.79 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
PubChem CID59334205
Molecular FormulaC13H18ClN7O
Molecular Weight323.79 g/mol
Exact Mass323.13
IUPAC Name3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NCC3(CCCCC3)N2)nc1Cl
InChIInChI=1S/C13H18ClN7O/c14-8-10(16)19-9(15)7(18-8)11(22)20-12-17-6-13(21-12)4-2-1-3-5-13/h1-6H2,(H4,15,16,19)(H2,17,20,21,22)
InChIKeyQGLMCBPCRLJZDM-UHFFFAOYSA-N
XLogP0.69
TPSA131.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-diamino-N-[8-[(Z)-2-amino-3-(ethenylamino)prop-2-enoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide
CID 89173750
N-[8-(4-acetamidobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide
CID 59334247
3,5-diamino-6-chloro-N-[8-[(Z)-5-(methylamino)-4-sulfanylhex-4-enoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 130461610
3,5-diamino-6-chloro-N-[8-[4-oxo-4-(1H-pyrrol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 87343283
2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
CID 87343284
3,5-diamino-6-iodo-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
CID 88895379
3,5-diamino-6-chloro-N-[8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 58447448
3,5-diamino-N-[8-[2-[2-[amino(methyl)amino]phenyl]prop-2-enoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide
CID 89173728
3,5-diamino-6-chloro-N-[8-[3-(cyclopentylamino)sulfanylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 130461134
3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-2,3-dihydro-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 87343272
3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 58447435
3,5-diamino-6-chloro-N-[8-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 59334198

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide (CID 59334205) is 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NC2=NCC3(CCCCC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
The InChIKey is QGLMCBPCRLJZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7O/c14-8-10(16)19-9(15)7(18-8)11(22)20-12-17-6-13(21-12)4-2-1-3-5-13/h1-6H2,(H4,15,16,19)(H2,17,20,21,22).
What are the key properties of 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide has a molecular weight of 323.79 g/mol, XLogP of 0.69, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-(1,3-diazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 59334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).