2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid

C25H24ClN5O4 — CID 69151766

IUPAC2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C25H24ClN5O4/c1-31(14-21(32)33)24(34)17-12-20(26)23(27-13-17)29-30-25(35)28-22-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)22/h2-9,12-13,22H,10-11,14H2,1H3,(H,27,29)(H,32,33)(H2,28,30,35)
InChIKeyAGGSEOKCJLDDMO-UHFFFAOYSA-N
MW493.95 g/mol
LogP3.41
Rot. Bonds6

About 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid

2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid (PubChem CID 69151766) has the molecular formula C25H24ClN5O4 and a molecular weight of 493.95 g/mol. Its IUPAC name is 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid
PubChem CID69151766
Molecular FormulaC25H24ClN5O4
Molecular Weight493.95 g/mol
Exact Mass493.15
IUPAC Name2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C25H24ClN5O4/c1-31(14-21(32)33)24(34)17-12-20(26)23(27-13-17)29-30-25(35)28-22-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)22/h2-9,12-13,22H,10-11,14H2,1H3,(H,27,29)(H,32,33)(H2,28,30,35)
InChIKeyAGGSEOKCJLDDMO-UHFFFAOYSA-N
XLogP3.41
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid (CID 69151766) is 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid?
The InChIKey is AGGSEOKCJLDDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4/c1-31(14-21(32)33)24(34)17-12-20(26)23(27-13-17)29-30-25(35)28-22-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)22/h2-9,12-13,22H,10-11,14H2,1H3,(H,27,29)(H,32,33)(H2,28,30,35).
What are the key properties of 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid?
2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid has a molecular weight of 493.95 g/mol, XLogP of 3.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 69151766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).