N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide

C14H10N6O2 — CID 167943195

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnc4n[nH]nc4c3)ccc2o1
InChIInChI=1S/C14H10N6O2/c1-7-16-10-5-9(2-3-12(10)22-7)17-14(21)8-4-11-13(15-6-8)19-20-18-11/h2-6H,1H3,(H,17,21)(H,15,18,19,20)
InChIKeyNWRXIMWZJGNBMR-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.05
Rot. Bonds2

About N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 167943195) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID167943195
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnc4n[nH]nc4c3)ccc2o1
InChIInChI=1S/C14H10N6O2/c1-7-16-10-5-9(2-3-12(10)22-7)17-14(21)8-4-11-13(15-6-8)19-20-18-11/h2-6H,1H3,(H,17,21)(H,15,18,19,20)
InChIKeyNWRXIMWZJGNBMR-UHFFFAOYSA-N
XLogP2.05
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 166210603
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
N-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112525565
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide (CID 167943195) is N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide is Cc1nc2cc(NC(=O)c3cnc4n[nH]nc4c3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NWRXIMWZJGNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c1-7-16-10-5-9(2-3-12(10)22-7)17-14(21)8-4-11-13(15-6-8)19-20-18-11/h2-6H,1H3,(H,17,21)(H,15,18,19,20).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 167943195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).