N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C27H24F3N5O3 — CID 24953118

IUPACN-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(CCNC(N)=O)cc2n(C)c1=O
InChIInChI=1S/C27H24F3N5O3/c1-15-6-7-20(34-24(36)16-4-3-5-18(10-16)27(28,29)30)12-21(15)22-11-17-14-33-19(8-9-32-26(31)38)13-23(17)35(2)25(22)37/h3-7,10-14H,8-9H2,1-2H3,(H,34,36)(H3,31,32,38)
InChIKeyLWCBIEVJHOIMMA-UHFFFAOYSA-N
MW523.52 g/mol
LogP4.39
Rot. Bonds6

About N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24953118) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID24953118
Molecular FormulaC27H24F3N5O3
Molecular Weight523.52 g/mol
Exact Mass523.18
IUPAC NameN-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(CCNC(N)=O)cc2n(C)c1=O
InChIInChI=1S/C27H24F3N5O3/c1-15-6-7-20(34-24(36)16-4-3-5-18(10-16)27(28,29)30)12-21(15)22-11-17-14-33-19(8-9-32-26(31)38)13-23(17)35(2)25(22)37/h3-7,10-14H,8-9H2,1-2H3,(H,34,36)(H3,31,32,38)
InChIKeyLWCBIEVJHOIMMA-UHFFFAOYSA-N
XLogP4.39
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 24953118) is N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(CCNC(N)=O)cc2n(C)c1=O.
What is the InChIKey of N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LWCBIEVJHOIMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c1-15-6-7-20(34-24(36)16-4-3-5-18(10-16)27(28,29)30)12-21(15)22-11-17-14-33-19(8-9-32-26(31)38)13-23(17)35(2)25(22)37/h3-7,10-14H,8-9H2,1-2H3,(H,34,36)(H3,31,32,38).
What are the key properties of N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 523.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[2-(carbamoylamino)ethyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24953118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).