Tedalinab

Name: Tedalinab — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₁F₂N₃O — CID 67029278

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R,7S)-N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

SMILESCC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1

InChIInChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1

InChIKeyNTPZXHMTJGOMCJ-WDEREUQCSA-N

MW345.39 g/mol

LogP4.04

Rot. Bonds2

About Tedalinab

Tedalinab (PubChem CID 67029278) has the molecular formula C₁₉H₂₁F₂N₃O and a molecular weight of 345.39 g/mol. Its IUPAC name is (1R,7S)-N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name	Tedalinab
PubChem CID	67029278
Molecular Formula	C₁₉H₂₁F₂N₃O
Molecular Weight	345.39 g/mol
Exact Mass	345.17
IUPAC Name	(1R,7S)-N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILES	CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1
InChI	InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1
InChIKey	NTPZXHMTJGOMCJ-WDEREUQCSA-N
XLogP	4.04
TPSA	46.92 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.39
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tedalinab?

The IUPAC name of Tedalinab (CID 67029278) is (1R,7S)-N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.

What is the SMILES notation for Tedalinab?

The canonical SMILES for Tedalinab is CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1.

What is the InChIKey of Tedalinab?

The InChIKey is NTPZXHMTJGOMCJ-WDEREUQCSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1.

What are the key properties of Tedalinab?

Tedalinab has a molecular weight of 345.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tedalinab is sourced from PubChem (CID 67029278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 67029278 — identifiers, structure, computed properties (public domain)

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