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

C22H31FN6O3 — CID 169189612

IUPAC5-[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
SMILESCC[C@H]1Oc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2NC1=O.[H][H].[H][H]
InChIInChI=1S/C22H27FN6O3.2H2/c1-4-17-22(31)27-20-18(32-17)11-25-15(19(20)23)12-28-7-9-29(10-8-28)16-6-5-14(21(30)24-3)26-13(16)2;;/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,24,30)(H,27,31);2*1H/t17-;;/m1../s1
InChIKeySXVBPFHPZFTCPY-ZEECNFPPSA-N
MW446.53 g/mol
LogP2.21
Rot. Bonds5

About 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

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 (PubChem CID 169189612) has the molecular formula C22H31FN6O3 and a molecular weight of 446.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID169189612
Molecular FormulaC22H31FN6O3
Molecular Weight446.53 g/mol
Exact Mass446.24
IUPAC Name5-[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
SMILESCC[C@H]1Oc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2NC1=O.[H][H].[H][H]
InChIInChI=1S/C22H27FN6O3.2H2/c1-4-17-22(31)27-20-18(32-17)11-25-15(19(20)23)12-28-7-9-29(10-8-28)16-6-5-14(21(30)24-3)26-13(16)2;;/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,24,30)(H,27,31);2*1H/t17-;;/m1../s1
InChIKeySXVBPFHPZFTCPY-ZEECNFPPSA-N
XLogP2.21
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-[[(2R)-2-ethyl-5-methoxy-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 169189763
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-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178132130
5-[4-[[(3S)-3-ethyl-8-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-4-fluoro-N-methylpyrimidine-2-carboxamide
CID 169189617
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-[(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-[(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
N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872
6-fluoro-5-[4-[(6-fluoro-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169266052
5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 170981265
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H]1Oc2cnc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2NC1=O.[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is SXVBPFHPZFTCPY-ZEECNFPPSA-N. The full InChI is InChI=1S/C22H27FN6O3.2H2/c1-4-17-22(31)27-20-18(32-17)11-25-15(19(20)23)12-28-7-9-29(10-8-28)16-6-5-14(21(30)24-3)26-13(16)2;;/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,24,30)(H,27,31);2*1H/t17-;;/m1../s1.
What are the key properties of 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?
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 has a molecular weight of 446.53 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169189612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).