N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C17H17N3O4 — CID 9210916

IUPACN-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cn1
InChIInChI=1S/C17H17N3O4/c1-23-16-7-6-12(10-18-16)19-15(21)8-9-20-13-4-2-3-5-14(13)24-11-17(20)22/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyCSOVSKDXJNZKBT-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.84
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 9210916) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID9210916
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cn1
InChIInChI=1S/C17H17N3O4/c1-23-16-7-6-12(10-18-16)19-15(21)8-9-20-13-4-2-3-5-14(13)24-11-17(20)22/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyCSOVSKDXJNZKBT-UHFFFAOYSA-N
XLogP1.84
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 25342750
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51334622
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17446472
1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700912
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 9210916) is N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is COc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is CSOVSKDXJNZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-16-7-6-12(10-18-16)19-15(21)8-9-20-13-4-2-3-5-14(13)24-11-17(20)22/h2-7,10H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 327.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 9210916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).