3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide

C18H25N5O2 — CID 127655986

IUPAC3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C2CCOCC2)C1)c1nnc2ccccn12
InChIInChI=1S/C18H25N5O2/c1-13(17-21-20-16-4-2-3-8-23(16)17)19-18(24)22-9-5-15(12-22)14-6-10-25-11-7-14/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,19,24)
InChIKeyIIBZJRNPLLUCEX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds3

About 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide

3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 127655986) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID127655986
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C2CCOCC2)C1)c1nnc2ccccn12
InChIInChI=1S/C18H25N5O2/c1-13(17-21-20-16-4-2-3-8-23(16)17)19-18(24)22-9-5-15(12-22)14-6-10-25-11-7-14/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,19,24)
InChIKeyIIBZJRNPLLUCEX-UHFFFAOYSA-N
XLogP2.25
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
CID 65081528
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
CID 110922342
2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
CID 71869921
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119836866
(2R)-2-thiophen-3-yl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 94045743
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42954362

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide (CID 127655986) is 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC(C2CCOCC2)C1)c1nnc2ccccn12.
What is the InChIKey of 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is IIBZJRNPLLUCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(17-21-20-16-4-2-3-8-23(16)17)19-18(24)22-9-5-15(12-22)14-6-10-25-11-7-14/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,19,24).
What are the key properties of 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide?
3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 127655986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).