6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide

C21H24ClN3O — CID 174580817

IUPAC6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide
SMILESCN(C=Cc1ccccc1)c1nc(Cl)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C21H24ClN3O/c1-25(15-14-16-8-4-2-5-9-16)20-18(12-13-19(22)24-20)21(26)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,26)
InChIKeyZCLKYRLUBZEUDX-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.90
Rot. Bonds5

About 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide

6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide (PubChem CID 174580817) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide
PubChem CID174580817
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide
SMILESCN(C=Cc1ccccc1)c1nc(Cl)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C21H24ClN3O/c1-25(15-14-16-8-4-2-5-9-16)20-18(12-13-19(22)24-20)21(26)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,26)
InChIKeyZCLKYRLUBZEUDX-UHFFFAOYSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide (CID 174580817) is 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide is CN(C=Cc1ccccc1)c1nc(Cl)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide?
The InChIKey is ZCLKYRLUBZEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-25(15-14-16-8-4-2-5-9-16)20-18(12-13-19(22)24-20)21(26)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,26).
What are the key properties of 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide?
6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-[methyl(2-phenylethenyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 174580817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).