N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H18N6O2 — CID 99941251

IUPACN-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(c1nc2ncccn2n1)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C17H18N6O2/c24-16(15-20-17-19-6-2-9-23(17)21-15)22(12-14-3-1-10-25-14)11-13-4-7-18-8-5-13/h2,4-9,14H,1,3,10-12H2/t14-/m1/s1
InChIKeyJYBIUZITNIYKJM-CQSZACIVSA-N
MW338.37 g/mol
LogP1.34
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 99941251) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID99941251
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(c1nc2ncccn2n1)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C17H18N6O2/c24-16(15-20-17-19-6-2-9-23(17)21-15)22(12-14-3-1-10-25-14)11-13-4-7-18-8-5-13/h2,4-9,14H,1,3,10-12H2/t14-/m1/s1
InChIKeyJYBIUZITNIYKJM-CQSZACIVSA-N
XLogP1.34
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77090970
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 95133340
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 91770989
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 90648755
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25285955

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 99941251) is N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(c1nc2ncccn2n1)N(Cc1ccncc1)C[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JYBIUZITNIYKJM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(15-20-17-19-6-2-9-23(17)21-15)22(12-14-3-1-10-25-14)11-13-4-7-18-8-5-13/h2,4-9,14H,1,3,10-12H2/t14-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 99941251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).