(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone

C19H21N3O — CID 123521160

IUPAC(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone
SMILESCC1C2CC(CN2C)N1C(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H21N3O/c1-13-18-10-16(12-21(18)2)22(13)19(23)17-9-8-15(11-20-17)14-6-4-3-5-7-14/h3-9,11,13,16,18H,10,12H2,1-2H3
InChIKeyQXZZMITZHWIUSO-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.67
Rot. Bonds2

About (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone

(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone (PubChem CID 123521160) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone
PubChem CID123521160
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone
SMILESCC1C2CC(CN2C)N1C(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H21N3O/c1-13-18-10-16(12-21(18)2)22(13)19(23)17-9-8-15(11-20-17)14-6-4-3-5-7-14/h3-9,11,13,16,18H,10,12H2,1-2H3
InChIKeyQXZZMITZHWIUSO-UHFFFAOYSA-N
XLogP2.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone?
The IUPAC name of (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone (CID 123521160) is (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone?
The canonical SMILES for (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone is CC1C2CC(CN2C)N1C(=O)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone?
The InChIKey is QXZZMITZHWIUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-18-10-16(12-21(18)2)22(13)19(23)17-9-8-15(11-20-17)14-6-4-3-5-7-14/h3-9,11,13,16,18H,10,12H2,1-2H3.
What are the key properties of (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone?
(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone has a molecular weight of 307.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 123521160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).