N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide

C21H24N4O3 — CID 97268251

IUPACN-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CN1C(=O)COc2cccnc21
InChIInChI=1S/C21H24N4O3/c1-23(12-16-9-11-24(13-16)17-6-3-2-4-7-17)19(26)14-25-20(27)15-28-18-8-5-10-22-21(18)25/h2-8,10,16H,9,11-15H2,1H3/t16-/m1/s1
InChIKeyUUKBBJPQBSEVGZ-MRXNPFEDSA-N
MW380.45 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide

N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 97268251) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID97268251
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CN1C(=O)COc2cccnc21
InChIInChI=1S/C21H24N4O3/c1-23(12-16-9-11-24(13-16)17-6-3-2-4-7-17)19(26)14-25-20(27)15-28-18-8-5-10-22-21(18)25/h2-8,10,16H,9,11-15H2,1H3/t16-/m1/s1
InChIKeyUUKBBJPQBSEVGZ-MRXNPFEDSA-N
XLogP1.79
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 97268251) is N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide is CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CN1C(=O)COc2cccnc21.
What is the InChIKey of N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is UUKBBJPQBSEVGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23(12-16-9-11-24(13-16)17-6-3-2-4-7-17)19(26)14-25-20(27)15-28-18-8-5-10-22-21(18)25/h2-8,10,16H,9,11-15H2,1H3/t16-/m1/s1.
What are the key properties of N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97268251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).