XVLDXTYTGGYMOO-AWEZNQCLSA-N

Name: XVLDXTYTGGYMOO-AWEZNQCLSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₃F₃N₆O₂ — CID 118539973

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

IUPAC5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

SMILESCn1nnnc1[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C

InChIInChI=1S/C18H23F3N6O2/c1-17(2,3)14(15-24-25-26-27(15)4)23-16(28)12-7-13(29-9-18(19,20)21)11(8-22-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,23,28)/t14-/m0/s1

InChIKeyXVLDXTYTGGYMOO-AWEZNQCLSA-N

MW412.42 g/mol

LogP2.94

Rot. Bonds6

About XVLDXTYTGGYMOO-AWEZNQCLSA-N

XVLDXTYTGGYMOO-AWEZNQCLSA-N (PubChem CID 118539973) has the molecular formula C₁₈H₂₃F₃N₆O₂ and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name	XVLDXTYTGGYMOO-AWEZNQCLSA-N
PubChem CID	118539973
Molecular Formula	C₁₈H₂₃F₃N₆O₂
Molecular Weight	412.42 g/mol
Exact Mass	412.18
IUPAC Name	5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILES	Cn1nnnc1[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C
InChI	InChI=1S/C18H23F3N6O2/c1-17(2,3)14(15-24-25-26-27(15)4)23-16(28)12-7-13(29-9-18(19,20)21)11(8-22-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,23,28)/t14-/m0/s1
InChIKey	XVLDXTYTGGYMOO-AWEZNQCLSA-N
XLogP	2.94
TPSA	94.82 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.42
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of XVLDXTYTGGYMOO-AWEZNQCLSA-N?

The IUPAC name of XVLDXTYTGGYMOO-AWEZNQCLSA-N (CID 118539973) is 5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

What is the SMILES notation for XVLDXTYTGGYMOO-AWEZNQCLSA-N?

The canonical SMILES for XVLDXTYTGGYMOO-AWEZNQCLSA-N is Cn1nnnc1[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C.

What is the InChIKey of XVLDXTYTGGYMOO-AWEZNQCLSA-N?

The InChIKey is XVLDXTYTGGYMOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23F3N6O2/c1-17(2,3)14(15-24-25-26-27(15)4)23-16(28)12-7-13(29-9-18(19,20)21)11(8-22-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,23,28)/t14-/m0/s1.

What are the key properties of XVLDXTYTGGYMOO-AWEZNQCLSA-N?

XVLDXTYTGGYMOO-AWEZNQCLSA-N has a molecular weight of 412.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for XVLDXTYTGGYMOO-AWEZNQCLSA-N is sourced from PubChem (CID 118539973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118539973 — identifiers, structure, computed properties (public domain)

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