2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide

C18H20N4O — CID 169091507

IUPAC2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2C(N)=O)nc1
InChIInChI=1S/C18H20N4O/c1-21-10-14-8-13(21)11-22(14)12-6-7-17(20-9-12)15-4-2-3-5-16(15)18(19)23/h2-7,9,13-14H,8,10-11H2,1H3,(H2,19,23)/t13-,14-/m1/s1
InChIKeyDHNNLPMJNVWNBX-ZIAGYGMSSA-N
MW308.38 g/mol
LogP1.74
Rot. Bonds3

About 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide

2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide (PubChem CID 169091507) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide
PubChem CID169091507
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2C(N)=O)nc1
InChIInChI=1S/C18H20N4O/c1-21-10-14-8-13(21)11-22(14)12-6-7-17(20-9-12)15-4-2-3-5-16(15)18(19)23/h2-7,9,13-14H,8,10-11H2,1H3,(H2,19,23)/t13-,14-/m1/s1
InChIKeyDHNNLPMJNVWNBX-ZIAGYGMSSA-N
XLogP1.74
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide (CID 169091507) is 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide is CN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccccc2C(N)=O)nc1.
What is the InChIKey of 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide?
The InChIKey is DHNNLPMJNVWNBX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-10-14-8-13(21)11-22(14)12-6-7-17(20-9-12)15-4-2-3-5-16(15)18(19)23/h2-7,9,13-14H,8,10-11H2,1H3,(H2,19,23)/t13-,14-/m1/s1.
What are the key properties of 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide?
2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 169091507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).