N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide

C28H31N3O3 — CID 134474975

IUPACN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide
SMILESCCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C28H31N3O3/c1-2-19-10-11-21(20-12-14-29-15-13-20)17-25(19)28(34)31-26(18-32)22-6-5-7-23(16-22)27(33)30-24-8-3-4-9-24/h5-7,10-17,24,26,32H,2-4,8-9,18H2,1H3,(H,30,33)(H,31,34)/t26-/m1/s1
InChIKeySUAFXIYFPRWWOY-AREMUKBSSA-N
MW457.57 g/mol
LogP4.45
Rot. Bonds8

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide (PubChem CID 134474975) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide
PubChem CID134474975
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide
SMILESCCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C28H31N3O3/c1-2-19-10-11-21(20-12-14-29-15-13-20)17-25(19)28(34)31-26(18-32)22-6-5-7-23(16-22)27(33)30-24-8-3-4-9-24/h5-7,10-17,24,26,32H,2-4,8-9,18H2,1H3,(H,30,33)(H,31,34)/t26-/m1/s1
InChIKeySUAFXIYFPRWWOY-AREMUKBSSA-N
XLogP4.45
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide?
The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide (CID 134474975) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide is CCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide?
The InChIKey is SUAFXIYFPRWWOY-AREMUKBSSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-2-19-10-11-21(20-12-14-29-15-13-20)17-25(19)28(34)31-26(18-32)22-6-5-7-23(16-22)27(33)30-24-8-3-4-9-24/h5-7,10-17,24,26,32H,2-4,8-9,18H2,1H3,(H,30,33)(H,31,34)/t26-/m1/s1.
What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide?
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 134474975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).