6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C23H16F6N6O2 — CID 58645570

IUPAC6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1nc(Nc2ccnc3nc(-c4ncc(C(N)=O)cc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C23H16F6N6O2/c1-2-37-21-13(22(24,25)26)4-6-17(35-21)33-15-7-8-31-20-12(15)3-5-16(34-20)18-14(23(27,28)29)9-11(10-32-18)19(30)36/h3-10H,2H2,1H3,(H2,30,36)(H,31,33,34,35)
InChIKeyQNIZXWFAGMMQNI-UHFFFAOYSA-N
MW522.41 g/mol
LogP5.37
Rot. Bonds6

About 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58645570) has the molecular formula C23H16F6N6O2 and a molecular weight of 522.41 g/mol. Its IUPAC name is 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58645570
Molecular FormulaC23H16F6N6O2
Molecular Weight522.41 g/mol
Exact Mass522.12
IUPAC Name6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1nc(Nc2ccnc3nc(-c4ncc(C(N)=O)cc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C23H16F6N6O2/c1-2-37-21-13(22(24,25)26)4-6-17(35-21)33-15-7-8-31-20-12(15)3-5-16(34-20)18-14(23(27,28)29)9-11(10-32-18)19(30)36/h3-10H,2H2,1H3,(H2,30,36)(H,31,33,34,35)
InChIKeyQNIZXWFAGMMQNI-UHFFFAOYSA-N
XLogP5.37
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.41
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 58645570) is 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is CCOc1nc(Nc2ccnc3nc(-c4ncc(C(N)=O)cc4C(F)(F)F)ccc23)ccc1C(F)(F)F.
What is the InChIKey of 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QNIZXWFAGMMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N6O2/c1-2-37-21-13(22(24,25)26)4-6-17(35-21)33-15-7-8-31-20-12(15)3-5-16(34-20)18-14(23(27,28)29)9-11(10-32-18)19(30)36/h3-10H,2H2,1H3,(H2,30,36)(H,31,33,34,35).
What are the key properties of 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 522.41 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[6-ethoxy-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).