3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

C29H28N2O — CID 14570092

IUPAC3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESC[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C29H28N2O/c1-22(10-8-11-23-12-9-19-30-21-23)31-29(32)26-17-18-27(24-13-4-2-5-14-24)28(20-26)25-15-6-3-7-16-25/h2-7,9,12-22H,8,10-11H2,1H3,(H,31,32)/t22-/m1/s1
InChIKeyRWQUNPYXECPYEB-JOCHJYFZSA-N
MW420.56 g/mol
LogP6.56
Rot. Bonds8

About 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (PubChem CID 14570092) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
PubChem CID14570092
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESC[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C29H28N2O/c1-22(10-8-11-23-12-9-19-30-21-23)31-29(32)26-17-18-27(24-13-4-2-5-14-24)28(20-26)25-15-6-3-7-16-25/h2-7,9,12-22H,8,10-11H2,1H3,(H,31,32)/t22-/m1/s1
InChIKeyRWQUNPYXECPYEB-JOCHJYFZSA-N
XLogP6.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The IUPAC name of 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (CID 14570092) is 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.
What is the SMILES notation for 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The canonical SMILES for 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is C[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The InChIKey is RWQUNPYXECPYEB-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H28N2O/c1-22(10-8-11-23-12-9-19-30-21-23)31-29(32)26-17-18-27(24-13-4-2-5-14-24)28(20-26)25-15-6-3-7-16-25/h2-7,9,12-22H,8,10-11H2,1H3,(H,31,32)/t22-/m1/s1.
What are the key properties of 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide has a molecular weight of 420.56 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is sourced from PubChem (CID 14570092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).