N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide

C18H20N4O3 — CID 71940361

IUPACN-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H20N4O3/c23-16(12-21-17(24)13-4-1-2-5-13)22-14-6-8-15(9-7-14)25-18-19-10-3-11-20-18/h3,6-11,13H,1-2,4-5,12H2,(H,21,24)(H,22,23)
InChIKeyALFXTZFJBKKJFV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds6

About N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide

N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide (PubChem CID 71940361) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
PubChem CID71940361
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H20N4O3/c23-16(12-21-17(24)13-4-1-2-5-13)22-14-6-8-15(9-7-14)25-18-19-10-3-11-20-18/h3,6-11,13H,1-2,4-5,12H2,(H,21,24)(H,22,23)
InChIKeyALFXTZFJBKKJFV-UHFFFAOYSA-N
XLogP2.51
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427
N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71889282
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate
CID 56805893
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
CID 55834610
(1S)-N-[2-(4-ethoxyanilino)-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94811299
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide (CID 71940361) is N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide?
The InChIKey is ALFXTZFJBKKJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(12-21-17(24)13-4-1-2-5-13)22-14-6-8-15(9-7-14)25-18-19-10-3-11-20-18/h3,6-11,13H,1-2,4-5,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide?
N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 71940361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).