3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide

C20H24N4O — CID 164526069

IUPAC3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide
SMILESCCc1cccc(C(=O)Nc2ccc(N3CC4CC3CN4C)cn2)c1
InChIInChI=1S/C20H24N4O/c1-3-14-5-4-6-15(9-14)20(25)22-19-8-7-16(11-21-19)24-13-17-10-18(24)12-23(17)2/h4-9,11,17-18H,3,10,12-13H2,1-2H3,(H,21,22,25)
InChIKeyJQJCCNCGLRVNBP-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.79
Rot. Bonds4

About 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide

3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide (PubChem CID 164526069) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide
PubChem CID164526069
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide
SMILESCCc1cccc(C(=O)Nc2ccc(N3CC4CC3CN4C)cn2)c1
InChIInChI=1S/C20H24N4O/c1-3-14-5-4-6-15(9-14)20(25)22-19-8-7-16(11-21-19)24-13-17-10-18(24)12-23(17)2/h4-9,11,17-18H,3,10,12-13H2,1-2H3,(H,21,22,25)
InChIKeyJQJCCNCGLRVNBP-UHFFFAOYSA-N
XLogP2.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

3-[[[7-[(E)-4-(1-aminoethenylimino)but-2-en-2-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]benzamide
CID 174013907
N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide
CID 164526063
2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[6-(1-methylpyrazol-4-yl)-6,7-dihydroisoquinolin-3-yl]pyridine-4-carboxamide
CID 139362938
3-ethyl-N-methylbenzamide
CID 59115297
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35324318
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]furan-2-carboxamide
CID 113030667
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113030675
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide (CID 164526069) is 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide is CCc1cccc(C(=O)Nc2ccc(N3CC4CC3CN4C)cn2)c1.
What is the InChIKey of 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide?
The InChIKey is JQJCCNCGLRVNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-14-5-4-6-15(9-14)20(25)22-19-8-7-16(11-21-19)24-13-17-10-18(24)12-23(17)2/h4-9,11,17-18H,3,10,12-13H2,1-2H3,(H,21,22,25).
What are the key properties of 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide?
3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 164526069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).