N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H17ClN2O2 — CID 121363610

IUPACN-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H17ClN2O2/c22-17-4-1-14(2-5-17)7-10-24-21(25)15-3-6-19-18-8-9-23-12-16(18)13-26-20(19)11-15/h1-6,8-9,11-12H,7,10,13H2,(H,24,25)
InChIKeyVONMHMRSUAEHKP-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.27
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363610) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363610
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H17ClN2O2/c22-17-4-1-14(2-5-17)7-10-24-21(25)15-3-6-19-18-8-9-23-12-16(18)13-26-20(19)11-15/h1-6,8-9,11-12H,7,10,13H2,(H,24,25)
InChIKeyVONMHMRSUAEHKP-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363610) is N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is VONMHMRSUAEHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-17-4-1-14(2-5-17)7-10-24-21(25)15-3-6-19-18-8-9-23-12-16(18)13-26-20(19)11-15/h1-6,8-9,11-12H,7,10,13H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).