1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C24H26N6O3 — CID 134076605

IUPAC1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCC2(CC1)OC(C(=O)Nc1cccnc1)Cn1ccnc12
InChIInChI=1S/C24H26N6O3/c1-17-5-2-3-7-19(17)28-23(32)29-12-8-24(9-13-29)22-26-11-14-30(22)16-20(33-24)21(31)27-18-6-4-10-25-15-18/h2-7,10-11,14-15,20H,8-9,12-13,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyQJXGBJPKLMIHDZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.15
Rot. Bonds3

About 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 134076605) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID134076605
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCC2(CC1)OC(C(=O)Nc1cccnc1)Cn1ccnc12
InChIInChI=1S/C24H26N6O3/c1-17-5-2-3-7-19(17)28-23(32)29-12-8-24(9-13-29)22-26-11-14-30(22)16-20(33-24)21(31)27-18-6-4-10-25-15-18/h2-7,10-11,14-15,20H,8-9,12-13,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyQJXGBJPKLMIHDZ-UHFFFAOYSA-N
XLogP3.15
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N'-cyclopentyl-6-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077149
(6S)-1'-(2-methylpropanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440127
1'-(3-methylbutanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171705435
(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440204
(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 97440291
N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134073412
N-(2-methyl-3-pyridinyl)-1'-(6-methyl-2-pyridinyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134079495
1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155843456
N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131662705
(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440199
(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
8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131646713

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 134076605) is 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is Cc1ccccc1NC(=O)N1CCC2(CC1)OC(C(=O)Nc1cccnc1)Cn1ccnc12.
What is the InChIKey of 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is QJXGBJPKLMIHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-17-5-2-3-7-19(17)28-23(32)29-12-8-24(9-13-29)22-26-11-14-30(22)16-20(33-24)21(31)27-18-6-4-10-25-15-18/h2-7,10-11,14-15,20H,8-9,12-13,16H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 134076605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).