5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C21H26N6O3 — CID 169189739

IUPAC5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)nc2NC1=O
InChIInChI=1S/C21H26N6O3/c1-3-17-21(29)25-19-18(30-17)7-4-14(24-19)13-26-8-10-27(11-9-26)15-5-6-16(23-12-15)20(28)22-2/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,22,28)(H,24,25,29)
InChIKeyYEWZOVOMQAHARU-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.27
Rot. Bonds5

About 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169189739) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169189739
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)nc2NC1=O
InChIInChI=1S/C21H26N6O3/c1-3-17-21(29)25-19-18(30-17)7-4-14(24-19)13-26-8-10-27(11-9-26)15-5-6-16(23-12-15)20(28)22-2/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,22,28)(H,24,25,29)
InChIKeyYEWZOVOMQAHARU-UHFFFAOYSA-N
XLogP1.27
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-5-[4-[[(2S)-3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189750
N-methyl-5-[4-[(3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189640
N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189638
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178132130
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557
5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169189563
5-[1-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
CID 169189769
5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
CID 169189691
5-[5-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 169189610
N-methyl-5-[4-[(3-oxospiro[4H-1,4-benzoxazine-2,3'-oxetane]-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189761
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
6-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 169189611

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 169189739) is 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCC1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)nc2NC1=O.
What is the InChIKey of 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is YEWZOVOMQAHARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-3-17-21(29)25-19-18(30-17)7-4-14(24-19)13-26-8-10-27(11-9-26)15-5-6-16(23-12-15)20(28)22-2/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,22,28)(H,24,25,29).
What are the key properties of 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169189739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).