N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide

C28H26ClN5O5 — CID 67508620

IUPACN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C2(C(N)=O)OCCO2)n1
InChIInChI=1S/C28H26ClN5O5/c1-37-23-10-9-19(29)17-21(23)22-11-13-34(33-22)25-20(8-5-12-31-25)26(35)32-24(16-18-6-3-2-4-7-18)28(27(30)36)38-14-15-39-28/h2-13,17,24H,14-16H2,1H3,(H2,30,36)(H,32,35)
InChIKeyGIJJKYFTKBKKNL-UHFFFAOYSA-N
MW548.00 g/mol
LogP3.17
Rot. Bonds9

About N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 67508620) has the molecular formula C28H26ClN5O5 and a molecular weight of 548.00 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID67508620
Molecular FormulaC28H26ClN5O5
Molecular Weight548.00 g/mol
Exact Mass547.16
IUPAC NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C2(C(N)=O)OCCO2)n1
InChIInChI=1S/C28H26ClN5O5/c1-37-23-10-9-19(29)17-21(23)22-11-13-34(33-22)25-20(8-5-12-31-25)26(35)32-24(16-18-6-3-2-4-7-18)28(27(30)36)38-14-15-39-28/h2-13,17,24H,14-16H2,1H3,(H2,30,36)(H,32,35)
InChIKeyGIJJKYFTKBKKNL-UHFFFAOYSA-N
XLogP3.17
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.00
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 67508620) is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide is COc1ccc(Cl)cc1-c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C2(C(N)=O)OCCO2)n1.
What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is GIJJKYFTKBKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O5/c1-37-23-10-9-19(29)17-21(23)22-11-13-34(33-22)25-20(8-5-12-31-25)26(35)32-24(16-18-6-3-2-4-7-18)28(27(30)36)38-14-15-39-28/h2-13,17,24H,14-16H2,1H3,(H2,30,36)(H,32,35).
What are the key properties of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 548.00 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67508620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).