3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide

C18H19N3O3 — CID 17477968

IUPAC3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)NCc2ccccn2)C1=O
InChIInChI=1S/C18H19N3O3/c1-13-18(23)21(15-7-2-3-8-16(15)24-13)11-9-17(22)20-12-14-6-4-5-10-19-14/h2-8,10,13H,9,11-12H2,1H3,(H,20,22)
InChIKeyJURSFFIFSUBDQZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.90
Rot. Bonds5

About 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 17477968) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID17477968
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)NCc2ccccn2)C1=O
InChIInChI=1S/C18H19N3O3/c1-13-18(23)21(15-7-2-3-8-16(15)24-13)11-9-17(22)20-12-14-6-4-5-10-19-14/h2-8,10,13H,9,11-12H2,1H3,(H,20,22)
InChIKeyJURSFFIFSUBDQZ-UHFFFAOYSA-N
XLogP1.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55709557
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55742502
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 49356398
N-[(4-chlorophenyl)methyl]-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 27660476
3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 56686997
N-(2-hydroxypropyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 78828367
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51081085
N-[(2,4-dimethylphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 75871782
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 55452694
N-[2-(methylamino)propyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 120830439
N-[(3-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46650923
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 18116758

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 17477968) is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is CC1Oc2ccccc2N(CCC(=O)NCc2ccccn2)C1=O.
What is the InChIKey of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JURSFFIFSUBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-18(23)21(15-7-2-3-8-16(15)24-13)11-9-17(22)20-12-14-6-4-5-10-19-14/h2-8,10,13H,9,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 17477968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).