(6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one

C24H29N3O3 — CID 133066118

IUPAC(6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one
SMILESCN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccn1
InChIInChI=1S/C24H29N3O3/c1-26-20-13-8-16-27(24(29)19-11-6-7-15-25-19)21(20)12-4-2-9-18-10-3-5-14-22(18)30-17-23(26)28/h3,5-7,10-11,14-15,20-21H,2,4,8-9,12-13,16-17H2,1H3/t20-,21-/m1/s1
InChIKeyAEYVPSXDVLNVGK-NHCUHLMSSA-N
MW407.51 g/mol
LogP3.32
Rot. Bonds1

About (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one

(6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one (PubChem CID 133066118) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one.

Molecular Properties

Compound Name(6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one
PubChem CID133066118
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one
SMILESCN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccn1
InChIInChI=1S/C24H29N3O3/c1-26-20-13-8-16-27(24(29)19-11-6-7-15-25-19)21(20)12-4-2-9-18-10-3-5-14-22(18)30-17-23(26)28/h3,5-7,10-11,14-15,20-21H,2,4,8-9,12-13,16-17H2,1H3/t20-,21-/m1/s1
InChIKeyAEYVPSXDVLNVGK-NHCUHLMSSA-N
XLogP3.32
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one with MolForge

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Related Compounds

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CID 171146894
(6R,11R,13E)-10-(2H-benzotriazole-5-carbonyl)-5-methyl-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),13,16,18-tetraen-4-one
CID 110076507
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[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
(3aR,7aR)-4-(cyclopropylmethyl)-1-(pyridine-2-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97404055
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CID 64559743
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CID 92608744
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
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[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[(3R,3aS,9aR)-4-methyl-3-phenyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-pyridin-2-ylmethanone
CID 92608248
2-methyl-4-phenyl-5-[1-(pyridine-2-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
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Frequently Asked Questions

What is the IUPAC name of (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one?
The IUPAC name of (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one (CID 133066118) is (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one.
What is the SMILES notation for (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one?
The canonical SMILES for (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one is CN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccn1.
What is the InChIKey of (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one?
The InChIKey is AEYVPSXDVLNVGK-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26-20-13-8-16-27(24(29)19-11-6-7-15-25-19)21(20)12-4-2-9-18-10-3-5-14-22(18)30-17-23(26)28/h3,5-7,10-11,14-15,20-21H,2,4,8-9,12-13,16-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one?
(6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-5-methyl-10-(pyridine-2-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),16,18-trien-4-one is sourced from PubChem (CID 133066118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).