4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide

C19H21N3O3 — CID 4617012

IUPAC4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NCc1cccnc1)C(=O)CO2
InChIInChI=1S/C19H21N3O3/c1-14-6-7-17-16(10-14)22(19(24)13-25-17)9-3-5-18(23)21-12-15-4-2-8-20-11-15/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,21,23)
InChIKeyBCRPIOUPTHWVLH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.21
Rot. Bonds6

About 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 4617012) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID4617012
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NCc1cccnc1)C(=O)CO2
InChIInChI=1S/C19H21N3O3/c1-14-6-7-17-16(10-14)22(19(24)13-25-17)9-3-5-18(23)21-12-15-4-2-8-20-11-15/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,21,23)
InChIKeyBCRPIOUPTHWVLH-UHFFFAOYSA-N
XLogP2.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 4617012) is 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide is Cc1ccc2c(c1)N(CCCC(=O)NCc1cccnc1)C(=O)CO2.
What is the InChIKey of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is BCRPIOUPTHWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-6-7-17-16(10-14)22(19(24)13-25-17)9-3-5-18(23)21-12-15-4-2-8-20-11-15/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,21,23).
What are the key properties of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 339.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 4617012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).