N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C15H18N4O3 — CID 35052270

IUPACN-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C15H18N4O3/c1-8-13-11(14(21)17-6-5-16-9(2)20)7-12(10-3-4-10)18-15(13)22-19-8/h7,10H,3-6H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZFTYGROPWVQXSQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.27
Rot. Bonds5

About N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35052270) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID35052270
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C15H18N4O3/c1-8-13-11(14(21)17-6-5-16-9(2)20)7-12(10-3-4-10)18-15(13)22-19-8/h7,10H,3-6H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZFTYGROPWVQXSQ-UHFFFAOYSA-N
XLogP1.27
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 35052270) is N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(=O)NCCNC(=O)c1cc(C2CC2)nc2onc(C)c12.
What is the InChIKey of N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZFTYGROPWVQXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-8-13-11(14(21)17-6-5-16-9(2)20)7-12(10-3-4-10)18-15(13)22-19-8/h7,10H,3-6H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35052270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).