3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C14H19N5O2 — CID 119446105

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCCN3CCNCC3)cc12
InChIInChI=1S/C14H19N5O2/c1-10-12-8-11(9-17-14(12)21-18-10)13(20)16-4-7-19-5-2-15-3-6-19/h8-9,15H,2-7H2,1H3,(H,16,20)
InChIKeyCWHWTNNQERNKKX-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.17
Rot. Bonds4

About 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 119446105) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID119446105
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCCN3CCNCC3)cc12
InChIInChI=1S/C14H19N5O2/c1-10-12-8-11(9-17-14(12)21-18-10)13(20)16-4-7-19-5-2-15-3-6-19/h8-9,15H,2-7H2,1H3,(H,16,20)
InChIKeyCWHWTNNQERNKKX-UHFFFAOYSA-N
XLogP0.17
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119449154
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115627788
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
4-methyl-N-(2-piperazin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 66336168
6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 58772630
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 64927116
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 119446105) is 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)NCCN3CCNCC3)cc12.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is CWHWTNNQERNKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-12-8-11(9-17-14(12)21-18-10)13(20)16-4-7-19-5-2-15-3-6-19/h8-9,15H,2-7H2,1H3,(H,16,20).
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 119446105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).