N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide

C20H20F3N5O2 — CID 53203122

IUPACN-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)c1
InChIInChI=1S/C20H20F3N5O2/c1-30-16-4-2-3-15(11-16)24-18(29)13-7-9-27(10-8-13)19-26-25-17-6-5-14(12-28(17)19)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,29)
InChIKeyPBADCUATAPIWOZ-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.61
Rot. Bonds4

About N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide

N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide (PubChem CID 53203122) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide
PubChem CID53203122
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)c1
InChIInChI=1S/C20H20F3N5O2/c1-30-16-4-2-3-15(11-16)24-18(29)13-7-9-27(10-8-13)19-26-25-17-6-5-14(12-28(17)19)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,29)
InChIKeyPBADCUATAPIWOZ-UHFFFAOYSA-N
XLogP3.61
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide (CID 53203122) is N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide?
The InChIKey is PBADCUATAPIWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-30-16-4-2-3-15(11-16)24-18(29)13-7-9-27(10-8-13)19-26-25-17-6-5-14(12-28(17)19)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,29).
What are the key properties of N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide?
N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53203122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).