2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide

C25H17F6N5O2 — CID 169491192

IUPAC2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)nc2cccnc12
InChIInChI=1S/C25H17F6N5O2/c1-32-22(37)18-12-20(36-19-3-2-8-33-21(18)19)13-4-6-16(7-5-13)34-23(38)35-17-10-14(24(26,27)28)9-15(11-17)25(29,30)31/h2-12H,1H3,(H,32,37)(H2,34,35,38)
InChIKeyUOODSCBPYKRZIZ-UHFFFAOYSA-N
MW533.43 g/mol
LogP6.34
Rot. Bonds4

About 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide

2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide (PubChem CID 169491192) has the molecular formula C25H17F6N5O2 and a molecular weight of 533.43 g/mol. Its IUPAC name is 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide
PubChem CID169491192
Molecular FormulaC25H17F6N5O2
Molecular Weight533.43 g/mol
Exact Mass533.13
IUPAC Name2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)nc2cccnc12
InChIInChI=1S/C25H17F6N5O2/c1-32-22(37)18-12-20(36-19-3-2-8-33-21(18)19)13-4-6-16(7-5-13)34-23(38)35-17-10-14(24(26,27)28)9-15(11-17)25(29,30)31/h2-12H,1H3,(H,32,37)(H2,34,35,38)
InChIKeyUOODSCBPYKRZIZ-UHFFFAOYSA-N
XLogP6.34
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.43
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide (CID 169491192) is 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide is CNC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)nc2cccnc12.
What is the InChIKey of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
The InChIKey is UOODSCBPYKRZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6N5O2/c1-32-22(37)18-12-20(36-19-3-2-8-33-21(18)19)13-4-6-16(7-5-13)34-23(38)35-17-10-14(24(26,27)28)9-15(11-17)25(29,30)31/h2-12H,1H3,(H,32,37)(H2,34,35,38).
What are the key properties of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide has a molecular weight of 533.43 g/mol, XLogP of 6.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 169491192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).