N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide

C16H15N3O3 — CID 110789922

IUPACN-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
SMILESO=C1COc2ccc(CCNC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C16H15N3O3/c20-15-10-22-14-4-3-11(8-13(14)19-15)5-7-18-16(21)12-2-1-6-17-9-12/h1-4,6,8-9H,5,7,10H2,(H,18,21)(H,19,20)
InChIKeyIYHZYIIRPJRYHE-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide

N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110789922) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
PubChem CID110789922
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
SMILESO=C1COc2ccc(CCNC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C16H15N3O3/c20-15-10-22-14-4-3-11(8-13(14)19-15)5-7-18-16(21)12-2-1-6-17-9-12/h1-4,6,8-9H,5,7,10H2,(H,18,21)(H,19,20)
InChIKeyIYHZYIIRPJRYHE-UHFFFAOYSA-N
XLogP1.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789899
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110795832
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110787889
3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide
CID 110790137
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
CID 9211562
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789945
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-(1H-pyrazol-5-yl)benzamide
CID 59802661

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide (CID 110789922) is N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide is O=C1COc2ccc(CCNC(=O)c3cccnc3)cc2N1.
What is the InChIKey of N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is IYHZYIIRPJRYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-10-22-14-4-3-11(8-13(14)19-15)5-7-18-16(21)12-2-1-6-17-9-12/h1-4,6,8-9H,5,7,10H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide?
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110789922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).