N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C14H17N5O3 — CID 127842915

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(OC3CCOC3)c2)n(C)n1
InChIInChI=1S/C14H17N5O3/c1-9-16-14(19(2)18-9)17-13(20)10-3-5-15-12(7-10)22-11-4-6-21-8-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,17,18,20)
InChIKeyPPZSRULDXCMHBJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.94
Rot. Bonds4

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 127842915) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID127842915
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(OC3CCOC3)c2)n(C)n1
InChIInChI=1S/C14H17N5O3/c1-9-16-14(19(2)18-9)17-13(20)10-3-5-15-12(7-10)22-11-4-6-21-8-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,17,18,20)
InChIKeyPPZSRULDXCMHBJ-UHFFFAOYSA-N
XLogP0.94
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124615990
N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 154861318
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 127842915) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide is Cc1nc(NC(=O)c2ccnc(OC3CCOC3)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is PPZSRULDXCMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-16-14(19(2)18-9)17-13(20)10-3-5-15-12(7-10)22-11-4-6-21-8-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,17,18,20).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 127842915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).