2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide

C18H21N3O2 — CID 110016061

IUPAC2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1O)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(21-18(23)16-3-2-4-17(16)22)13-5-7-14(8-6-13)15-9-19-11-20-10-15/h5-12,16-17,22H,2-4H2,1H3,(H,21,23)
InChIKeyNVEPEYJACSOFRA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.48
Rot. Bonds4

About 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide

2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 110016061) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID110016061
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1O)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(21-18(23)16-3-2-4-17(16)22)13-5-7-14(8-6-13)15-9-19-11-20-10-15/h5-12,16-17,22H,2-4H2,1H3,(H,21,23)
InChIKeyNVEPEYJACSOFRA-UHFFFAOYSA-N
XLogP2.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71985312
(1R,2S,4S)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98346460
(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 95906210
(3R)-1-methyl-5-oxo-N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 95906239
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867503
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867501
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
CID 96566193
4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
CID 71867499
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide (CID 110016061) is 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1CCCC1O)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is NVEPEYJACSOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(21-18(23)16-3-2-4-17(16)22)13-5-7-14(8-6-13)15-9-19-11-20-10-15/h5-12,16-17,22H,2-4H2,1H3,(H,21,23).
What are the key properties of 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110016061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).