N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C24H21ClN2O2 — CID 121363508

IUPACN-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCCC1Oc2cnccc2-c2ccc(C(=O)NC3(c4ccccc4Cl)CC3)cc21
InChIInChI=1S/C24H21ClN2O2/c1-2-21-18-13-15(7-8-16(18)17-9-12-26-14-22(17)29-21)23(28)27-24(10-11-24)19-5-3-4-6-20(19)25/h3-9,12-14,21H,2,10-11H2,1H3,(H,27,28)
InChIKeyGLARVLUSLSZSDP-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.66
Rot. Bonds4

About N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363508) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363508
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCCC1Oc2cnccc2-c2ccc(C(=O)NC3(c4ccccc4Cl)CC3)cc21
InChIInChI=1S/C24H21ClN2O2/c1-2-21-18-13-15(7-8-16(18)17-9-12-26-14-22(17)29-21)23(28)27-24(10-11-24)19-5-3-4-6-20(19)25/h3-9,12-14,21H,2,10-11H2,1H3,(H,27,28)
InChIKeyGLARVLUSLSZSDP-UHFFFAOYSA-N
XLogP5.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363508) is N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide is CCC1Oc2cnccc2-c2ccc(C(=O)NC3(c4ccccc4Cl)CC3)cc21.
What is the InChIKey of N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is GLARVLUSLSZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-2-21-18-13-15(7-8-16(18)17-9-12-26-14-22(17)29-21)23(28)27-24(10-11-24)19-5-3-4-6-20(19)25/h3-9,12-14,21H,2,10-11H2,1H3,(H,27,28).
What are the key properties of N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)cyclopropyl]-6-ethyl-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).