N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide

C20H23N3O3 — CID 125446606

IUPACN-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide
SMILESC[C@@H](O)c1cccc(-c2ccc(C(=O)NC3(C(N)=O)CCCC3)cc2)n1
InChIInChI=1S/C20H23N3O3/c1-13(24)16-5-4-6-17(22-16)14-7-9-15(10-8-14)18(25)23-20(19(21)26)11-2-3-12-20/h4-10,13,24H,2-3,11-12H2,1H3,(H2,21,26)(H,23,25)/t13-/m1/s1
InChIKeyRRYAOQZRTVINCW-CYBMUJFWSA-N
MW353.42 g/mol
LogP2.33
Rot. Bonds5

About N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide

N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide (PubChem CID 125446606) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide
PubChem CID125446606
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide
SMILESC[C@@H](O)c1cccc(-c2ccc(C(=O)NC3(C(N)=O)CCCC3)cc2)n1
InChIInChI=1S/C20H23N3O3/c1-13(24)16-5-4-6-17(22-16)14-7-9-15(10-8-14)18(25)23-20(19(21)26)11-2-3-12-20/h4-10,13,24H,2-3,11-12H2,1H3,(H2,21,26)(H,23,25)/t13-/m1/s1
InChIKeyRRYAOQZRTVINCW-CYBMUJFWSA-N
XLogP2.33
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162628528
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CID 61121119
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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide (CID 125446606) is N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide is C[C@@H](O)c1cccc(-c2ccc(C(=O)NC3(C(N)=O)CCCC3)cc2)n1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The InChIKey is RRYAOQZRTVINCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(24)16-5-4-6-17(22-16)14-7-9-15(10-8-14)18(25)23-20(19(21)26)11-2-3-12-20/h4-10,13,24H,2-3,11-12H2,1H3,(H2,21,26)(H,23,25)/t13-/m1/s1.
What are the key properties of N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide?
N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125446606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).