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

C23H18F6N4O5 — CID 154644988

IUPACN-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1nc(C(=O)Nc2ccnc(C(N)=O)c2)c(Oc2ccc(OC(F)(F)F)cc2OC)cc1C(F)(F)F
InChIInChI=1S/C23H18F6N4O5/c1-3-14-13(22(24,25)26)10-18(37-16-5-4-12(9-17(16)36-2)38-23(27,28)29)19(33-14)21(35)32-11-6-7-31-15(8-11)20(30)34/h4-10H,3H2,1-2H3,(H2,30,34)(H,31,32,35)
InChIKeyCTICVRFUHSACFE-UHFFFAOYSA-N
MW544.41 g/mol
LogP5.11
Rot. Bonds8

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

N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154644988) has the molecular formula C23H18F6N4O5 and a molecular weight of 544.41 g/mol. Its IUPAC name is N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154644988
Molecular FormulaC23H18F6N4O5
Molecular Weight544.41 g/mol
Exact Mass544.12
IUPAC NameN-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1nc(C(=O)Nc2ccnc(C(N)=O)c2)c(Oc2ccc(OC(F)(F)F)cc2OC)cc1C(F)(F)F
InChIInChI=1S/C23H18F6N4O5/c1-3-14-13(22(24,25)26)10-18(37-16-5-4-12(9-17(16)36-2)38-23(27,28)29)19(33-14)21(35)32-11-6-7-31-15(8-11)20(30)34/h4-10H,3H2,1-2H3,(H2,30,34)(H,31,32,35)
InChIKeyCTICVRFUHSACFE-UHFFFAOYSA-N
XLogP5.11
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.41
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 154644988) is N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide is CCc1nc(C(=O)Nc2ccnc(C(N)=O)c2)c(Oc2ccc(OC(F)(F)F)cc2OC)cc1C(F)(F)F.
What is the InChIKey of N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CTICVRFUHSACFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4O5/c1-3-14-13(22(24,25)26)10-18(37-16-5-4-12(9-17(16)36-2)38-23(27,28)29)19(33-14)21(35)32-11-6-7-31-15(8-11)20(30)34/h4-10H,3H2,1-2H3,(H2,30,34)(H,31,32,35).
What are the key properties of N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 544.41 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-pyridinyl)-6-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154644988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).