3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride

C16H22Cl2N8O — CID 11690136

IUPAC3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride
SMILESCl.N/C(=N\CCCCc1ccc(N)cc1)NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C16H21ClN8O.ClH/c17-12-14(20)24-13(19)11(23-12)15(26)25-16(21)22-8-2-1-3-9-4-6-10(18)7-5-9;/h4-7H,1-3,8,18H2,(H4,19,20,24)(H3,21,22,25,26);1H
InChIKeyBWBPVOMYNLQKAR-UHFFFAOYSA-N
MW413.31 g/mol
LogP1.37
Rot. Bonds6

About 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride

3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride (PubChem CID 11690136) has the molecular formula C16H22Cl2N8O and a molecular weight of 413.31 g/mol. Its IUPAC name is 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride
PubChem CID11690136
Molecular FormulaC16H22Cl2N8O
Molecular Weight413.31 g/mol
Exact Mass412.13
IUPAC Name3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride
SMILESCl.N/C(=N\CCCCc1ccc(N)cc1)NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C16H21ClN8O.ClH/c17-12-14(20)24-13(19)11(23-12)15(26)25-16(21)22-8-2-1-3-9-4-6-10(18)7-5-9;/h4-7H,1-3,8,18H2,(H4,19,20,24)(H3,21,22,25,26);1H
InChIKeyBWBPVOMYNLQKAR-UHFFFAOYSA-N
XLogP1.37
TPSA171.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride 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-6-chloro-N-[N'-(8-phenyloctyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11719430
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'-(3-phenylpropyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11646674
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-[(2-amino-2-oxoethyl)amino]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11590131
3,5-diamino-N-[N'-[4-[6-(3-amino-3-oxopropyl)naphthalen-2-yl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 131971073
3,5-diamino-N-[N'-[4-[4-(3-aminopropanoylamino)phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 10072318
3,5-diamino-6-chloro-N-[N'-[4-[4-[3-[methyl(3-phenylpropyl)amino]propyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 118148639
3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxopropylsulfanyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 59750587
3,5-diamino-6-chloro-N-[N'-[4-(3-hydroxy-4-methylphenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 20760146
3,5-diamino-6-chloro-N-[N'-[4-[4-(piperidine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 59750557

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride (CID 11690136) is 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride is Cl.N/C(=N\CCCCc1ccc(N)cc1)NC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride?
The InChIKey is BWBPVOMYNLQKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN8O.ClH/c17-12-14(20)24-13(19)11(23-12)15(26)25-16(21)22-8-2-1-3-9-4-6-10(18)7-5-9;/h4-7H,1-3,8,18H2,(H4,19,20,24)(H3,21,22,25,26);1H.
What are the key properties of 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride?
3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride has a molecular weight of 413.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[N'-[4-(4-aminophenyl)butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 11690136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).