3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride

C18H25Cl2N7O2 — CID 11690777

IUPAC3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.Cl
InChIInChI=1S/C18H24ClN7O2.ClH/c1-28-12-8-6-11(7-9-12)5-3-2-4-10-23-18(22)26-17(27)13-15(20)25-16(21)14(19)24-13;/h6-9H,2-5,10H2,1H3,(H4,20,21,25)(H3,22,23,26,27);1H
InChIKeyFFLHCNYZVSQVAQ-UHFFFAOYSA-N
MW442.35 g/mol
LogP2.18
Rot. Bonds8

About 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride

3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 11690777) has the molecular formula C18H25Cl2N7O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
PubChem CID11690777
Molecular FormulaC18H25Cl2N7O2
Molecular Weight442.35 g/mol
Exact Mass441.14
IUPAC Name3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.Cl
InChIInChI=1S/C18H24ClN7O2.ClH/c1-28-12-8-6-11(7-9-12)5-3-2-4-10-23-18(22)26-17(27)13-15(20)25-16(21)14(19)24-13;/h6-9H,2-5,10H2,1H3,(H4,20,21,25)(H3,22,23,26,27);1H
InChIKeyFFLHCNYZVSQVAQ-UHFFFAOYSA-N
XLogP2.18
TPSA154.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride (CID 11690777) is 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride is COc1ccc(CCCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is FFLHCNYZVSQVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O2.ClH/c1-28-12-8-6-11(7-9-12)5-3-2-4-10-23-18(22)26-17(27)13-15(20)25-16(21)14(19)24-13;/h6-9H,2-5,10H2,1H3,(H4,20,21,25)(H3,22,23,26,27);1H.
What are the key properties of 3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride?
3,5-diamino-6-chloro-N-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 442.35 g/mol, XLogP of 2.18, 8 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-[N'-[5-(4-methoxyphenyl)pentyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 11690777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).