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

C24H17F4N5O2 — CID 169491215

IUPAC2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)nc2cccnc12
InChIInChI=1S/C24H17F4N5O2/c1-29-22(34)16-12-20(33-19-3-2-10-30-21(16)19)13-4-6-14(7-5-13)31-23(35)32-15-8-9-18(25)17(11-15)24(26,27)28/h2-12H,1H3,(H,29,34)(H2,31,32,35)
InChIKeyKVQSLMKROKDSBS-UHFFFAOYSA-N
MW483.43 g/mol
LogP5.46
Rot. Bonds4

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

2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide (PubChem CID 169491215) has the molecular formula C24H17F4N5O2 and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide
PubChem CID169491215
Molecular FormulaC24H17F4N5O2
Molecular Weight483.43 g/mol
Exact Mass483.13
IUPAC Name2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)nc2cccnc12
InChIInChI=1S/C24H17F4N5O2/c1-29-22(34)16-12-20(33-19-3-2-10-30-21(16)19)13-4-6-14(7-5-13)31-23(35)32-15-8-9-18(25)17(11-15)24(26,27)28/h2-12H,1H3,(H,29,34)(H2,31,32,35)
InChIKeyKVQSLMKROKDSBS-UHFFFAOYSA-N
XLogP5.46
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.43
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide (CID 169491215) is 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide is CNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)nc2cccnc12.
What is the InChIKey of 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
The InChIKey is KVQSLMKROKDSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5O2/c1-29-22(34)16-12-20(33-19-3-2-10-30-21(16)19)13-4-6-14(7-5-13)31-23(35)32-15-8-9-18(25)17(11-15)24(26,27)28/h2-12H,1H3,(H,29,34)(H2,31,32,35).
What are the key properties of 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide?
2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide has a molecular weight of 483.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methyl-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 169491215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).