5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

C24H31N5O4 — CID 169189763

IUPAC5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(OC)c2NC1=O
InChIInChI=1S/C24H31N5O4/c1-5-19-24(31)27-21-20(33-19)9-6-16(22(21)32-4)14-28-10-12-29(13-11-28)18-8-7-17(23(30)25-3)26-15(18)2/h6-9,19H,5,10-14H2,1-4H3,(H,25,30)(H,27,31)/t19-/m1/s1
InChIKeyJAKRNIVKZIEQEC-LJQANCHMSA-N
MW453.54 g/mol
LogP2.19
Rot. Bonds6

About 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 169189763) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID169189763
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(OC)c2NC1=O
InChIInChI=1S/C24H31N5O4/c1-5-19-24(31)27-21-20(33-19)9-6-16(22(21)32-4)14-28-10-12-29(13-11-28)18-8-7-17(23(30)25-3)26-15(18)2/h6-9,19H,5,10-14H2,1-4H3,(H,25,30)(H,27,31)/t19-/m1/s1
InChIKeyJAKRNIVKZIEQEC-LJQANCHMSA-N
XLogP2.19
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[[(2R)-2-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 169189585
5-[4-[[(3R)-3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;molecular hydrogen
CID 169189612
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,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
methyl 5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]-6-fluoropyridine-2-carboxylate
CID 178132092
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
5-[4-[(5-chloro-2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 162524449
5-[4-[(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169189566
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850878
5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 170981265
5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]azetidin-3-yl]oxy-6-fluoro-N'-methylpyridine-2-carbohydrazide
CID 178131849

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 169189763) is 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CC[C@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(OC)c2NC1=O.
What is the InChIKey of 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is JAKRNIVKZIEQEC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-5-19-24(31)27-21-20(33-19)9-6-16(22(21)32-4)14-28-10-12-29(13-11-28)18-8-7-17(23(30)25-3)26-15(18)2/h6-9,19H,5,10-14H2,1-4H3,(H,25,30)(H,27,31)/t19-/m1/s1.
What are the key properties of 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 169189763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).