3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane

C19H31N7O — CID 143641252

IUPAC3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane
SMILESCC.Cc1nc(C(=O)N/C(N)=N/CCCCC2=CCCC=C2)c(N)nc1N
InChIInChI=1S/C17H25N7O.C2H6/c1-11-14(18)23-15(19)13(22-11)16(25)24-17(20)21-10-6-5-9-12-7-3-2-4-8-12;1-2/h3,7-8H,2,4-6,9-10H2,1H3,(H4,18,19,23)(H3,20,21,24,25);1-2H3
InChIKeyVLRIFHUJTZJWMD-UHFFFAOYSA-N
MW373.51 g/mol
LogP2.47
Rot. Bonds6

About 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane

3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane (PubChem CID 143641252) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane
PubChem CID143641252
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane
SMILESCC.Cc1nc(C(=O)N/C(N)=N/CCCCC2=CCCC=C2)c(N)nc1N
InChIInChI=1S/C17H25N7O.C2H6/c1-11-14(18)23-15(19)13(22-11)16(25)24-17(20)21-10-6-5-9-12-7-3-2-4-8-12;1-2/h3,7-8H,2,4-6,9-10H2,1H3,(H4,18,19,23)(H3,20,21,24,25);1-2H3
InChIKeyVLRIFHUJTZJWMD-UHFFFAOYSA-N
XLogP2.47
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 52.47
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'}

Analyze 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diamino-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 143641268
3,5-diamino-N-[N'-[4-[4-(3-aminopropanoylamino)cyclohexyl]butyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 143005697
3,5-diamino-6-chloro-N-[N'-[4-(3-hydroxy-4-methylphenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 20760146
3,5-diamino-6-methyl-N-[N'-[4-[4-[2-[[(2R,4R)-2-methyl-1,3-dioxan-4-yl]methylamino]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 143046469
3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride
CID 11690136
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 11625052
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-N-[N'-[4-[4-[(1-aminoethylideneamino)methyl]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59750581
3,5-diamino-6-chloro-N-[N'-[4-(4-methylsulfonylcarbonylphenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 130433494
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'-(9-aminononyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11575881

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane?
The IUPAC name of 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane (CID 143641252) is 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane?
The canonical SMILES for 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane is CC.Cc1nc(C(=O)N/C(N)=N/CCCCC2=CCCC=C2)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane?
The InChIKey is VLRIFHUJTZJWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O.C2H6/c1-11-14(18)23-15(19)13(22-11)16(25)24-17(20)21-10-6-5-9-12-7-3-2-4-8-12;1-2/h3,7-8H,2,4-6,9-10H2,1H3,(H4,18,19,23)(H3,20,21,24,25);1-2H3.
What are the key properties of 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane?
3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane has a molecular weight of 373.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane is sourced from PubChem (CID 143641252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).