N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C30H22F5N5O6 — CID 177004491

IUPACN-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3cnc(Oc4c(F)cnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(C)c1
InChIInChI=1S/C30H22F5N5O6/c1-14-9-16(43-2)5-7-21(14)40-23(30(33,34)35)8-6-17(29(40)42)26(41)38-15-10-18(31)27(37-12-15)46-25-19(32)13-36-20-11-22(44-3)28(45-4)39-24(20)25/h5-13H,1-4H3,(H,38,41)
InChIKeyQOUBOMNQHSUJNB-UHFFFAOYSA-N
MW643.53 g/mol
LogP5.85
Rot. Bonds8

About N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 177004491) has the molecular formula C30H22F5N5O6 and a molecular weight of 643.53 g/mol. Its IUPAC name is N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID177004491
Molecular FormulaC30H22F5N5O6
Molecular Weight643.53 g/mol
Exact Mass643.15
IUPAC NameN-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3cnc(Oc4c(F)cnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(C)c1
InChIInChI=1S/C30H22F5N5O6/c1-14-9-16(43-2)5-7-21(14)40-23(30(33,34)35)8-6-17(29(40)42)26(41)38-15-10-18(31)27(37-12-15)46-25-19(32)13-36-20-11-22(44-3)28(45-4)39-24(20)25/h5-13H,1-4H3,(H,38,41)
InChIKeyQOUBOMNQHSUJNB-UHFFFAOYSA-N
XLogP5.85
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 177004491) is N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(-n2c(C(F)(F)F)ccc(C(=O)Nc3cnc(Oc4c(F)cnc5cc(OC)c(OC)nc45)c(F)c3)c2=O)c(C)c1.
What is the InChIKey of N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QOUBOMNQHSUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F5N5O6/c1-14-9-16(43-2)5-7-21(14)40-23(30(33,34)35)8-6-17(29(40)42)26(41)38-15-10-18(31)27(37-12-15)46-25-19(32)13-36-20-11-22(44-3)28(45-4)39-24(20)25/h5-13H,1-4H3,(H,38,41).
What are the key properties of N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 643.53 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177004491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).