N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide

C26H23F3N4O5 — CID 154644980

IUPACN-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(C2CC2)nc1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C26H23F3N4O5/c1-36-20-10-16(38-26(27,28)29)7-9-19(20)37-21-11-17(13-2-3-13)22(14-4-5-14)33-23(21)25(35)32-15-6-8-18(24(30)34)31-12-15/h6-14H,2-5H2,1H3,(H2,30,34)(H,32,35)
InChIKeyPWUSRLZVDSCKHO-UHFFFAOYSA-N
MW528.49 g/mol
LogP5.28
Rot. Bonds9

About N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide

N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide (PubChem CID 154644980) has the molecular formula C26H23F3N4O5 and a molecular weight of 528.49 g/mol. Its IUPAC name is N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
PubChem CID154644980
Molecular FormulaC26H23F3N4O5
Molecular Weight528.49 g/mol
Exact Mass528.16
IUPAC NameN-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(C2CC2)nc1C(=O)Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C26H23F3N4O5/c1-36-20-10-16(38-26(27,28)29)7-9-19(20)37-21-11-17(13-2-3-13)22(14-4-5-14)33-23(21)25(35)32-15-6-8-18(24(30)34)31-12-15/h6-14H,2-5H2,1H3,(H2,30,34)(H,32,35)
InChIKeyPWUSRLZVDSCKHO-UHFFFAOYSA-N
XLogP5.28
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.49
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-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-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide (CID 154644980) is N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(C2CC2)nc1C(=O)Nc1ccc(C(N)=O)nc1.
What is the InChIKey of N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The InChIKey is PWUSRLZVDSCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O5/c1-36-20-10-16(38-26(27,28)29)7-9-19(20)37-21-11-17(13-2-3-13)22(14-4-5-14)33-23(21)25(35)32-15-6-8-18(24(30)34)31-12-15/h6-14H,2-5H2,1H3,(H2,30,34)(H,32,35).
What are the key properties of N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide has a molecular weight of 528.49 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-3-pyridinyl)-5,6-dicyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 154644980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).