N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide

C18H22N4O4 — CID 135376433

IUPACN-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide
SMILESNc1ccc(CC(NC(=O)C2CCCC2)C(=O)COc2ccon2)cn1
InChIInChI=1S/C18H22N4O4/c19-16-6-5-12(10-20-16)9-14(21-18(24)13-3-1-2-4-13)15(23)11-25-17-7-8-26-22-17/h5-8,10,13-14H,1-4,9,11H2,(H2,19,20)(H,21,24)
InChIKeyPPSISFLMAGKAGL-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.52
Rot. Bonds8

About N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide

N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 135376433) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID135376433
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide
SMILESNc1ccc(CC(NC(=O)C2CCCC2)C(=O)COc2ccon2)cn1
InChIInChI=1S/C18H22N4O4/c19-16-6-5-12(10-20-16)9-14(21-18(24)13-3-1-2-4-13)15(23)11-25-17-7-8-26-22-17/h5-8,10,13-14H,1-4,9,11H2,(H2,19,20)(H,21,24)
InChIKeyPPSISFLMAGKAGL-UHFFFAOYSA-N
XLogP1.52
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide (CID 135376433) is N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide is Nc1ccc(CC(NC(=O)C2CCCC2)C(=O)COc2ccon2)cn1.
What is the InChIKey of N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is PPSISFLMAGKAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c19-16-6-5-12(10-20-16)9-14(21-18(24)13-3-1-2-4-13)15(23)11-25-17-7-8-26-22-17/h5-8,10,13-14H,1-4,9,11H2,(H2,19,20)(H,21,24).
What are the key properties of N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide?
N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-amino-3-pyridinyl)-4-(1,2-oxazol-3-yloxy)-3-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 135376433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).