(1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C19H27N5O2 — CID 133117257

IUPAC(1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2)C1=O
InChIInChI=1S/C19H27N5O2/c1-21-11-12-24(19(21)26)16-5-3-14(4-6-16)20-18(25)23-10-9-15-7-8-17(13-23)22(15)2/h3-6,15,17H,7-13H2,1-2H3,(H,20,25)/t15-,17+/m1/s1
InChIKeyGVTMXUOHAWNYLC-WBVHZDCISA-N
MW357.46 g/mol
LogP2.26
Rot. Bonds2

About (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 133117257) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID133117257
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2)C1=O
InChIInChI=1S/C19H27N5O2/c1-21-11-12-24(19(21)26)16-5-3-14(4-6-16)20-18(25)23-10-9-15-7-8-17(13-23)22(15)2/h3-6,15,17H,7-13H2,1-2H3,(H,20,25)/t15-,17+/m1/s1
InChIKeyGVTMXUOHAWNYLC-WBVHZDCISA-N
XLogP2.26
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 133117257) is (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2)C1=O.
What is the InChIKey of (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is GVTMXUOHAWNYLC-WBVHZDCISA-N. The full InChI is InChI=1S/C19H27N5O2/c1-21-11-12-24(19(21)26)16-5-3-14(4-6-16)20-18(25)23-10-9-15-7-8-17(13-23)22(15)2/h3-6,15,17H,7-13H2,1-2H3,(H,20,25)/t15-,17+/m1/s1.
What are the key properties of (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-9-methyl-N-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 133117257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).