N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate

C41H36F3N7O3 — CID 68787622

IUPACN-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCC3(CC2)N=N3)cc1.Cc1nc2ncccc2cc1C(=O)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23N5O.C18H13F3N2O2/c1-15-20(13-19-3-2-12-24-21(19)26-15)22(29)25-14-16-4-6-17(7-5-16)18-8-10-23(11-9-18)27-28-23;1-11-15(9-13-5-3-7-22-16(13)23-11)17(24)25-10-12-4-2-6-14(8-12)18(19,20)21/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,29);2-9H,10H2,1H3
InChIKeyKBIIKAHUVKBDCU-UHFFFAOYSA-N
MW731.78 g/mol
LogP9.00
Rot. Bonds7

About N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate

N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 68787622) has the molecular formula C41H36F3N7O3 and a molecular weight of 731.78 g/mol. Its IUPAC name is N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound NameN-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID68787622
Molecular FormulaC41H36F3N7O3
Molecular Weight731.78 g/mol
Exact Mass731.28
IUPAC NameN-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCC3(CC2)N=N3)cc1.Cc1nc2ncccc2cc1C(=O)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23N5O.C18H13F3N2O2/c1-15-20(13-19-3-2-12-24-21(19)26-15)22(29)25-14-16-4-6-17(7-5-16)18-8-10-23(11-9-18)27-28-23;1-11-15(9-13-5-3-7-22-16(13)23-11)17(24)25-10-12-4-2-6-14(8-12)18(19,20)21/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,29);2-9H,10H2,1H3
InChIKeyKBIIKAHUVKBDCU-UHFFFAOYSA-N
XLogP9.00
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.78
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate (CID 68787622) is N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCC3(CC2)N=N3)cc1.Cc1nc2ncccc2cc1C(=O)OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is KBIIKAHUVKBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C18H13F3N2O2/c1-15-20(13-19-3-2-12-24-21(19)26-15)22(29)25-14-16-4-6-17(7-5-16)18-8-10-23(11-9-18)27-28-23;1-11-15(9-13-5-3-7-22-16(13)23-11)17(24)25-10-12-4-2-6-14(8-12)18(19,20)21/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,29);2-9H,10H2,1H3.
What are the key properties of N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 731.78 g/mol, XLogP of 9.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2-diazaspiro[2.5]oct-1-en-6-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 68787622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).