3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride

C14H25Cl2N7O — CID 11625052

IUPAC3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
SMILESCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N.Cl
InChIInChI=1S/C14H24ClN7O.ClH/c1-2-3-4-5-6-7-8-19-14(18)22-13(23)9-11(16)21-12(17)10(15)20-9;/h2-8H2,1H3,(H4,16,17,21)(H3,18,19,22,23);1H
InChIKeyVDZYQLRTFSGSGP-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.12
Rot. Bonds8

About 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride

3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 11625052) has the molecular formula C14H25Cl2N7O and a molecular weight of 378.31 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
PubChem CID11625052
Molecular FormulaC14H25Cl2N7O
Molecular Weight378.31 g/mol
Exact Mass377.15
IUPAC Name3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
SMILESCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N.Cl
InChIInChI=1S/C14H24ClN7O.ClH/c1-2-3-4-5-6-7-8-19-14(18)22-13(23)9-11(16)21-12(17)10(15)20-9;/h2-8H2,1H3,(H4,16,17,21)(H3,18,19,22,23);1H
InChIKeyVDZYQLRTFSGSGP-UHFFFAOYSA-N
XLogP2.12
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-N-[N'-(6-aminohexyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59714739
3,5-diamino-N-[N'-(9-aminononyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11575881
3,5-diamino-N-[N'-[4-[[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butylamino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24737832
3,5-diamino-6-chloro-N-[N'-(8-phenyloctyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11719430
3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride
CID 11690136
3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11690777
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-N-[N'-[4-(1-butylpiperidin-4-yl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59641701
3,5-diamino-N-[N'-[5-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]-1,4-diazepan-1-yl]pentyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59468243
3,5-diamino-N-[N'-[2-[bis[2-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]ethyl]amino]ethyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739919
3,5-diamino-N-[N'-[6-[3-(1-aminoethylideneamino)propanoylamino]hexyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59714691

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride (CID 11625052) is 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride is CCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N.Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is VDZYQLRTFSGSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN7O.ClH/c1-2-3-4-5-6-7-8-19-14(18)22-13(23)9-11(16)21-12(17)10(15)20-9;/h2-8H2,1H3,(H4,16,17,21)(H3,18,19,22,23);1H.
What are the key properties of 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 378.31 g/mol, XLogP of 2.12, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 11625052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).