5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide

C30H35ClN6O2 — CID 10128825

IUPAC5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C30H35ClN6O2/c1-36(17-18-37-15-7-2-8-16-37)29(38)23-19-26(31)28(32-20-23)34-35-30(39)33-27-24-11-5-3-9-21(24)13-14-22-10-4-6-12-25(22)27/h3-6,9-12,19-20,27H,2,7-8,13-18H2,1H3,(H,32,34)(H2,33,35,39)
InChIKeyAHHBTEQHPHPZNP-UHFFFAOYSA-N
MW547.10 g/mol
LogP4.81
Rot. Bonds7

About 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide

5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide (PubChem CID 10128825) has the molecular formula C30H35ClN6O2 and a molecular weight of 547.10 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide
PubChem CID10128825
Molecular FormulaC30H35ClN6O2
Molecular Weight547.10 g/mol
Exact Mass546.25
IUPAC Name5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C30H35ClN6O2/c1-36(17-18-37-15-7-2-8-16-37)29(38)23-19-26(31)28(32-20-23)34-35-30(39)33-27-24-11-5-3-9-21(24)13-14-22-10-4-6-12-25(22)27/h3-6,9-12,19-20,27H,2,7-8,13-18H2,1H3,(H,32,34)(H2,33,35,39)
InChIKeyAHHBTEQHPHPZNP-UHFFFAOYSA-N
XLogP4.81
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.10
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide (CID 10128825) is 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide is CN(CCN1CCCCC1)C(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?
The InChIKey is AHHBTEQHPHPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O2/c1-36(17-18-37-15-7-2-8-16-37)29(38)23-19-26(31)28(32-20-23)34-35-30(39)33-27-24-11-5-3-9-21(24)13-14-22-10-4-6-12-25(22)27/h3-6,9-12,19-20,27H,2,7-8,13-18H2,1H3,(H,32,34)(H2,33,35,39).
What are the key properties of 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?
5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide has a molecular weight of 547.10 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10128825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).