2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide

C29H33N3O — CID 151541891

IUPAC2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide
SMILESNC(=O)c1cccc(CC2(c3cccnc3)CCCC2)c1CC1(c2cccnc2)CCCC1
InChIInChI=1S/C29H33N3O/c30-27(33)25-11-5-8-22(18-28(12-1-2-13-28)23-9-6-16-31-20-23)26(25)19-29(14-3-4-15-29)24-10-7-17-32-21-24/h5-11,16-17,20-21H,1-4,12-15,18-19H2,(H2,30,33)
InChIKeyPYQJZISVXSWCMS-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.68
Rot. Bonds7

About 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide

2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide (PubChem CID 151541891) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide
PubChem CID151541891
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide
SMILESNC(=O)c1cccc(CC2(c3cccnc3)CCCC2)c1CC1(c2cccnc2)CCCC1
InChIInChI=1S/C29H33N3O/c30-27(33)25-11-5-8-22(18-28(12-1-2-13-28)23-9-6-16-31-20-23)26(25)19-29(14-3-4-15-29)24-10-7-17-32-21-24/h5-11,16-17,20-21H,1-4,12-15,18-19H2,(H2,30,33)
InChIKeyPYQJZISVXSWCMS-UHFFFAOYSA-N
XLogP5.68
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide (CID 151541891) is 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide is NC(=O)c1cccc(CC2(c3cccnc3)CCCC2)c1CC1(c2cccnc2)CCCC1.
What is the InChIKey of 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide?
The InChIKey is PYQJZISVXSWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c30-27(33)25-11-5-8-22(18-28(12-1-2-13-28)23-9-6-16-31-20-23)26(25)19-29(14-3-4-15-29)24-10-7-17-32-21-24/h5-11,16-17,20-21H,1-4,12-15,18-19H2,(H2,30,33).
What are the key properties of 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide?
2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide has a molecular weight of 439.60 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(1-pyridin-3-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 151541891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).