N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide

C18H21N3O3 — CID 159358233

IUPACN-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide
SMILESCC[C@H]1C[C@@H](Oc2cc(NC(=O)c3ccccc3)ncn2)C[C@@H]1O
InChIInChI=1S/C18H21N3O3/c1-2-12-8-14(9-15(12)22)24-17-10-16(19-11-20-17)21-18(23)13-6-4-3-5-7-13/h3-7,10-12,14-15,22H,2,8-9H2,1H3,(H,19,20,21,23)/t12-,14+,15-/m0/s1
InChIKeyJSEDWFUDNHEJNF-CFVMTHIKSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds5

About N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide

N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide (PubChem CID 159358233) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide
PubChem CID159358233
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide
SMILESCC[C@H]1C[C@@H](Oc2cc(NC(=O)c3ccccc3)ncn2)C[C@@H]1O
InChIInChI=1S/C18H21N3O3/c1-2-12-8-14(9-15(12)22)24-17-10-16(19-11-20-17)21-18(23)13-6-4-3-5-7-13/h3-7,10-12,14-15,22H,2,8-9H2,1H3,(H,19,20,21,23)/t12-,14+,15-/m0/s1
InChIKeyJSEDWFUDNHEJNF-CFVMTHIKSA-N
XLogP2.66
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide
CID 174243972
N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane
CID 159799641
N-(4-cyclopropyloxy-2-pyridinyl)benzamide
CID 90303211
(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol
CID 86686872
[(1S,2S,4R)-4-[6-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 87157190
[(1S,2S,4R)-4-[6-[[(1S,2R)-2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 59671400
N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
CID 58205143
N-(2-ethylcyclopropyl)benzamide
CID 103669419
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
N-[7-(4-ethyl-2,3-dihydroxycyclopentyl)pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
CID 157138943
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
CID 123573143

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide (CID 159358233) is N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide is CC[C@H]1C[C@@H](Oc2cc(NC(=O)c3ccccc3)ncn2)C[C@@H]1O.
What is the InChIKey of N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide?
The InChIKey is JSEDWFUDNHEJNF-CFVMTHIKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-12-8-14(9-15(12)22)24-17-10-16(19-11-20-17)21-18(23)13-6-4-3-5-7-13/h3-7,10-12,14-15,22H,2,8-9H2,1H3,(H,19,20,21,23)/t12-,14+,15-/m0/s1.
What are the key properties of N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide?
N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide is sourced from PubChem (CID 159358233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).