(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C19H27N3O2 — CID 110199266

IUPAC(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1
InChIInChI=1S/C19H27N3O2/c1-14-9-10-15(13-21-14)19(24)22-12-5-3-2-4-11-20-18(23)16-7-6-8-17(16)22/h9-10,13,16-17H,2-8,11-12H2,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyHYICCAZQJARRTI-SJORKVTESA-N
MW329.44 g/mol
LogP2.69
Rot. Bonds1

About (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199266) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199266
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1
InChIInChI=1S/C19H27N3O2/c1-14-9-10-15(13-21-14)19(24)22-12-5-3-2-4-11-20-18(23)16-7-6-8-17(16)22/h9-10,13,16-17H,2-8,11-12H2,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyHYICCAZQJARRTI-SJORKVTESA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199266) is (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1.
What is the InChIKey of (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is HYICCAZQJARRTI-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-9-10-15(13-21-14)19(24)22-12-5-3-2-4-11-20-18(23)16-7-6-8-17(16)22/h9-10,13,16-17H,2-8,11-12H2,1H3,(H,20,23)/t16-,17+/m1/s1.
What are the key properties of (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 329.44 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).