N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide

C26H22F2N4O4 — CID 59212448

IUPACN-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
SMILESCc1cc2c(cn1)cc(-c1cc(C(=O)NC(=O)Nc3ccc(OC(F)F)cc3)ccc1C)c(=O)n2C
InChIInChI=1S/C26H22F2N4O4/c1-14-4-5-16(23(33)31-26(35)30-18-6-8-19(9-7-18)36-25(27)28)11-20(14)21-12-17-13-29-15(2)10-22(17)32(3)24(21)34/h4-13,25H,1-3H3,(H2,30,31,33,35)
InChIKeyRGFKQFKSRYMKDX-UHFFFAOYSA-N
MW492.48 g/mol
LogP4.78
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide

N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide (PubChem CID 59212448) has the molecular formula C26H22F2N4O4 and a molecular weight of 492.48 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
PubChem CID59212448
Molecular FormulaC26H22F2N4O4
Molecular Weight492.48 g/mol
Exact Mass492.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
SMILESCc1cc2c(cn1)cc(-c1cc(C(=O)NC(=O)Nc3ccc(OC(F)F)cc3)ccc1C)c(=O)n2C
InChIInChI=1S/C26H22F2N4O4/c1-14-4-5-16(23(33)31-26(35)30-18-6-8-19(9-7-18)36-25(27)28)11-20(14)21-12-17-13-29-15(2)10-22(17)32(3)24(21)34/h4-13,25H,1-3H3,(H2,30,31,33,35)
InChIKeyRGFKQFKSRYMKDX-UHFFFAOYSA-N
XLogP4.78
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide (CID 59212448) is N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide is Cc1cc2c(cn1)cc(-c1cc(C(=O)NC(=O)Nc3ccc(OC(F)F)cc3)ccc1C)c(=O)n2C.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
The InChIKey is RGFKQFKSRYMKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O4/c1-14-4-5-16(23(33)31-26(35)30-18-6-8-19(9-7-18)36-25(27)28)11-20(14)21-12-17-13-29-15(2)10-22(17)32(3)24(21)34/h4-13,25H,1-3H3,(H2,30,31,33,35).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide?
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide has a molecular weight of 492.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]carbamoyl]-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide is sourced from PubChem (CID 59212448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).