3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H13N7O2 — CID 51097996

IUPAC3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2-n2cncn2)c2c(C)noc2n1
InChIInChI=1S/C16H13N7O2/c1-9-6-11(13-10(2)22-25-16(13)20-9)15(24)21-12-4-3-5-18-14(12)23-8-17-7-19-23/h3-8H,1-2H3,(H,21,24)
InChIKeyBSCKUUNHDJASDZ-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.07
Rot. Bonds3

About 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51097996) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51097996
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2-n2cncn2)c2c(C)noc2n1
InChIInChI=1S/C16H13N7O2/c1-9-6-11(13-10(2)22-25-16(13)20-9)15(24)21-12-4-3-5-18-14(12)23-8-17-7-19-23/h3-8H,1-2H3,(H,21,24)
InChIKeyBSCKUUNHDJASDZ-UHFFFAOYSA-N
XLogP2.07
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30884891
N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133260
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119439823
N-(2,6-difluorophenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52902662
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44823848
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 51098015
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51097996) is 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccnc2-n2cncn2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BSCKUUNHDJASDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-9-6-11(13-10(2)22-25-16(13)20-9)15(24)21-12-4-3-5-18-14(12)23-8-17-7-19-23/h3-8H,1-2H3,(H,21,24).
What are the key properties of 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51097996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).