Taltirelin

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

C₁₇H₂₃N₇O₅ — CID 122173803

💊View drug profile → taltirelin

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

IUPAC(4S)-N-[(2S)-1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

SMILESCN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O

InChIInChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12?/m0/s1

InChIKeyLQZAIAZUDWIVPM-NDQFZYFBSA-N

MW405.42 g/mol

LogP-2.15

Rot. Bonds6

About Taltirelin

Taltirelin (PubChem CID 122173803) has the molecular formula C₁₇H₂₃N₇O₅ and a molecular weight of 405.42 g/mol. Its IUPAC name is (4S)-N-[(2S)-1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name	Taltirelin
PubChem CID	122173803
Molecular Formula	C₁₇H₂₃N₇O₅
Molecular Weight	405.42 g/mol
Exact Mass	405.18
IUPAC Name	(4S)-N-[(2S)-1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILES	CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O
InChI	InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12?/m0/s1
InChIKey	LQZAIAZUDWIVPM-NDQFZYFBSA-N
XLogP	-2.15
TPSA	170.59 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.42
LogP ≤ 5	-2.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Taltirelin?

The IUPAC name of Taltirelin (CID 122173803) is (4S)-N-[(2S)-1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide.

What is the SMILES notation for Taltirelin?

The canonical SMILES for Taltirelin is CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCCC2C(N)=O)NC1=O.

What is the InChIKey of Taltirelin?

The InChIKey is LQZAIAZUDWIVPM-NDQFZYFBSA-N. The full InChI is InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12?/m0/s1.

What are the key properties of Taltirelin?

Taltirelin has a molecular weight of 405.42 g/mol, XLogP of -2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Taltirelin is sourced from PubChem (CID 122173803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 122173803 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 2560 — approved-drug record (CC BY-SA 4.0)

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