1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

C18H23N7O3 — CID 91923612

IUPAC1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cn(C2CN(C(=O)NCC3CCCO3)C2)nn1
InChIInChI=1S/C18H23N7O3/c26-17(20-8-13-3-5-19-6-4-13)16-12-25(23-22-16)14-10-24(11-14)18(27)21-9-15-2-1-7-28-15/h3-6,12,14-15H,1-2,7-11H2,(H,20,26)(H,21,27)
InChIKeyBXRAPWFTXUJRDI-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.35
Rot. Bonds6

About 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (PubChem CID 91923612) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
PubChem CID91923612
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cn(C2CN(C(=O)NCC3CCCO3)C2)nn1
InChIInChI=1S/C18H23N7O3/c26-17(20-8-13-3-5-19-6-4-13)16-12-25(23-22-16)14-10-24(11-14)18(27)21-9-15-2-1-7-28-15/h3-6,12,14-15H,1-2,7-11H2,(H,20,26)(H,21,27)
InChIKeyBXRAPWFTXUJRDI-UHFFFAOYSA-N
XLogP0.35
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 126900520
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075509
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 42101548
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 42163361
1-tert-butyl-N-(oxan-2-ylmethyl)triazole-4-carboxamide
CID 139007712

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (CID 91923612) is 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is O=C(NCc1ccncc1)c1cn(C2CN(C(=O)NCC3CCCO3)C2)nn1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The InChIKey is BXRAPWFTXUJRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-17(20-8-13-3-5-19-6-4-13)16-12-25(23-22-16)14-10-24(11-14)18(27)21-9-15-2-1-7-28-15/h3-6,12,14-15H,1-2,7-11H2,(H,20,26)(H,21,27).
What are the key properties of 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethylcarbamoyl)azetidin-3-yl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 91923612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).