2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide

C17H26N10O2S2 — CID 145220045

IUPAC2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccc(S(=O)CCN)c(SN)c2/C(N)=N/NN)cnc1N
InChIInChI=1S/C17H26N10O2S2/c18-3-5-24-17(28)11-7-9(8-25-15(11)20)10-1-2-12(31(29)6-4-19)14(30-23)13(10)16(21)26-27-22/h1-2,7-8,27H,3-6,18-19,22-23H2,(H2,20,25)(H2,21,26)(H,24,28)
InChIKeyJTEHPZHEQIMVML-UHFFFAOYSA-N
MW466.60 g/mol
LogP-1.87
Rot. Bonds10

About 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide

2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide (PubChem CID 145220045) has the molecular formula C17H26N10O2S2 and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide
PubChem CID145220045
Molecular FormulaC17H26N10O2S2
Molecular Weight466.60 g/mol
Exact Mass466.17
IUPAC Name2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccc(S(=O)CCN)c(SN)c2/C(N)=N/NN)cnc1N
InChIInChI=1S/C17H26N10O2S2/c18-3-5-24-17(28)11-7-9(8-25-15(11)20)10-1-2-12(31(29)6-4-19)14(30-23)13(10)16(21)26-27-22/h1-2,7-8,27H,3-6,18-19,22-23H2,(H2,20,25)(H2,21,26)(H,24,28)
InChIKeyJTEHPZHEQIMVML-UHFFFAOYSA-N
XLogP-1.87
TPSA239.57 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500466.60
LogP ≤ 5-1.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide 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 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide (CID 145220045) is 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide is NCCNC(=O)c1cc(-c2ccc(S(=O)CCN)c(SN)c2/C(N)=N/NN)cnc1N.
What is the InChIKey of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JTEHPZHEQIMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N10O2S2/c18-3-5-24-17(28)11-7-9(8-25-15(11)20)10-1-2-12(31(29)6-4-19)14(30-23)13(10)16(21)26-27-22/h1-2,7-8,27H,3-6,18-19,22-23H2,(H2,20,25)(H2,21,26)(H,24,28).
What are the key properties of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide?
2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 466.60 g/mol, XLogP of -1.87, 10 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfinyl)-3-aminosulfanyl-2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 145220045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).