(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one

C20H29N3O3 — CID 110201191

IUPAC(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESCc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCCC[C@@H]32)c(=O)[nH]1
InChIInChI=1S/C20H29N3O3/c1-14-10-11-16(19(25)22-14)20(26)23-13-7-3-2-6-12-21-18(24)15-8-4-5-9-17(15)23/h10-11,15,17H,2-9,12-13H2,1H3,(H,21,24)(H,22,25)/t15-,17+/m1/s1
InChIKeyBZQFQKIFQUJPLF-WBVHZDCISA-N
MW359.47 g/mol
LogP2.37
Rot. Bonds1

About (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one

(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one (PubChem CID 110201191) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
PubChem CID110201191
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESCc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCCC[C@@H]32)c(=O)[nH]1
InChIInChI=1S/C20H29N3O3/c1-14-10-11-16(19(25)22-14)20(26)23-13-7-3-2-6-12-21-18(24)15-8-4-5-9-17(15)23/h10-11,15,17H,2-9,12-13H2,1H3,(H,21,24)(H,22,25)/t15-,17+/m1/s1
InChIKeyBZQFQKIFQUJPLF-WBVHZDCISA-N
XLogP2.37
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The IUPAC name of (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one (CID 110201191) is (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one.
What is the SMILES notation for (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The canonical SMILES for (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one is Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCCC[C@@H]32)c(=O)[nH]1.
What is the InChIKey of (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The InChIKey is BZQFQKIFQUJPLF-WBVHZDCISA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-10-11-16(19(25)22-14)20(26)23-13-7-3-2-6-12-21-18(24)15-8-4-5-9-17(15)23/h10-11,15,17H,2-9,12-13H2,1H3,(H,21,24)(H,22,25)/t15-,17+/m1/s1.
What are the key properties of (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one has a molecular weight of 359.47 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one is sourced from PubChem (CID 110201191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).