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

C23H17F7N4O6 — CID 154644997

IUPACN-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1c(Oc2cnc(C(F)(F)F)c(OC)c2C(=O)Nc2cc(C(N)=O)ncc2C)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C23H17F7N4O6/c1-9-7-32-11(20(31)35)6-10(9)34-21(36)15-14(8-33-19(18(15)38-3)22(25,26)27)39-13-5-4-12(40-23(28,29)30)16(24)17(13)37-2/h4-8H,1-3H3,(H2,31,35)(H,32,34,36)
InChIKeyOCMRNNXKACSEPC-UHFFFAOYSA-N
MW578.40 g/mol
LogP5.00
Rot. Bonds8

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

N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 154644997) has the molecular formula C23H17F7N4O6 and a molecular weight of 578.40 g/mol. Its IUPAC name is N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID154644997
Molecular FormulaC23H17F7N4O6
Molecular Weight578.40 g/mol
Exact Mass578.10
IUPAC NameN-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1c(Oc2cnc(C(F)(F)F)c(OC)c2C(=O)Nc2cc(C(N)=O)ncc2C)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C23H17F7N4O6/c1-9-7-32-11(20(31)35)6-10(9)34-21(36)15-14(8-33-19(18(15)38-3)22(25,26)27)39-13-5-4-12(40-23(28,29)30)16(24)17(13)37-2/h4-8H,1-3H3,(H2,31,35)(H,32,34,36)
InChIKeyOCMRNNXKACSEPC-UHFFFAOYSA-N
XLogP5.00
TPSA134.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide (CID 154644997) is N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide is COc1c(Oc2cnc(C(F)(F)F)c(OC)c2C(=O)Nc2cc(C(N)=O)ncc2C)ccc(OC(F)(F)F)c1F.
What is the InChIKey of N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is OCMRNNXKACSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F7N4O6/c1-9-7-32-11(20(31)35)6-10(9)34-21(36)15-14(8-33-19(18(15)38-3)22(25,26)27)39-13-5-4-12(40-23(28,29)30)16(24)17(13)37-2/h4-8H,1-3H3,(H2,31,35)(H,32,34,36).
What are the key properties of N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide?
N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 578.40 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-5-methyl-4-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 154644997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).