(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C26H29N5O4 — CID 97360746

IUPAC(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4cccc(C)n4)CC3)O2)cc1
InChIInChI=1S/C26H29N5O4/c1-18-4-3-5-21(29-18)24(33)30-13-10-26(11-14-30)25-27-12-15-31(25)17-22(35-26)23(32)28-16-19-6-8-20(34-2)9-7-19/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3,(H,28,32)/t22-/m0/s1
InChIKeyDYXYTCZUAHTSGV-QFIPXVFZSA-N
MW475.55 g/mol
LogP2.44
Rot. Bonds5

About (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360746) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97360746
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4cccc(C)n4)CC3)O2)cc1
InChIInChI=1S/C26H29N5O4/c1-18-4-3-5-21(29-18)24(33)30-13-10-26(11-14-30)25-27-12-15-31(25)17-22(35-26)23(32)28-16-19-6-8-20(34-2)9-7-19/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3,(H,28,32)/t22-/m0/s1
InChIKeyDYXYTCZUAHTSGV-QFIPXVFZSA-N
XLogP2.44
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360741
(6R)-1'-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360732
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360739
1'-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077220
(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360919
(6R)-N-[(3-methoxyphenyl)methyl]-1'-(1-methylpyrrole-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360683
(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360658
1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077189
N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829424
N-(2-methylpropyl)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649874
(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440222
1-N',1-N'-dimethyl-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 133136205

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97360746) is (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)c4cccc(C)n4)CC3)O2)cc1.
What is the InChIKey of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is DYXYTCZUAHTSGV-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-18-4-3-5-21(29-18)24(33)30-13-10-26(11-14-30)25-27-12-15-31(25)17-22(35-26)23(32)28-16-19-6-8-20(34-2)9-7-19/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3,(H,28,32)/t22-/m0/s1.
What are the key properties of (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).