N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide

C16H15N3O3 — CID 110792165

IUPACN-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
SMILESCn1c(=O)oc2cc(CCNC(=O)c3cccnc3)ccc21
InChIInChI=1S/C16H15N3O3/c1-19-13-5-4-11(9-14(13)22-16(19)21)6-8-18-15(20)12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,20)
InChIKeyAVKAIJGWRYSKLF-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide

N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110792165) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
PubChem CID110792165
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
SMILESCn1c(=O)oc2cc(CCNC(=O)c3cccnc3)ccc21
InChIInChI=1S/C16H15N3O3/c1-19-13-5-4-11(9-14(13)22-16(19)21)6-8-18-15(20)12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,20)
InChIKeyAVKAIJGWRYSKLF-UHFFFAOYSA-N
XLogP1.50
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792162
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796294
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111358435
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide (CID 110792165) is N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide is Cn1c(=O)oc2cc(CCNC(=O)c3cccnc3)ccc21.
What is the InChIKey of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is AVKAIJGWRYSKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-13-5-4-11(9-14(13)22-16(19)21)6-8-18-15(20)12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide?
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110792165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).