Skip to content

XTAZQTDBIHBPKA-UHFFFAOYSA-N

C23H21F3N4O — CID 53233781

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1
InChIInChI=1S/C23H21F3N4O/c1-14-11-19(12-15(2)27-14)28-22(31)30-10-4-6-16-8-9-20(29-21(16)30)17-5-3-7-18(13-17)23(24,25)26/h3,5,7-9,11-13H,4,6,10H2,1-2H3,(H,27,28,31)
InChIKeyXTAZQTDBIHBPKA-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.76
Rot. Bonds2

About XTAZQTDBIHBPKA-UHFFFAOYSA-N

XTAZQTDBIHBPKA-UHFFFAOYSA-N (PubChem CID 53233781) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameXTAZQTDBIHBPKA-UHFFFAOYSA-N
PubChem CID53233781
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1
InChIInChI=1S/C23H21F3N4O/c1-14-11-19(12-15(2)27-14)28-22(31)30-10-4-6-16-8-9-20(29-21(16)30)17-5-3-7-18(13-17)23(24,25)26/h3,5,7-9,11-13H,4,6,10H2,1-2H3,(H,27,28,31)
InChIKeyXTAZQTDBIHBPKA-UHFFFAOYSA-N
XLogP5.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze XTAZQTDBIHBPKA-UHFFFAOYSA-N 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 XTAZQTDBIHBPKA-UHFFFAOYSA-N?
The IUPAC name of XTAZQTDBIHBPKA-UHFFFAOYSA-N (CID 53233781) is N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for XTAZQTDBIHBPKA-UHFFFAOYSA-N?
The canonical SMILES for XTAZQTDBIHBPKA-UHFFFAOYSA-N is Cc1cc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1.
What is the InChIKey of XTAZQTDBIHBPKA-UHFFFAOYSA-N?
The InChIKey is XTAZQTDBIHBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c1-14-11-19(12-15(2)27-14)28-22(31)30-10-4-6-16-8-9-20(29-21(16)30)17-5-3-7-18(13-17)23(24,25)26/h3,5,7-9,11-13H,4,6,10H2,1-2H3,(H,27,28,31).
What are the key properties of XTAZQTDBIHBPKA-UHFFFAOYSA-N?
XTAZQTDBIHBPKA-UHFFFAOYSA-N has a molecular weight of 426.44 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for XTAZQTDBIHBPKA-UHFFFAOYSA-N is sourced from PubChem (CID 53233781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.