N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide

C16H19FN4O2 — CID 91626407

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C16H19FN4O2/c17-12-9-18-16(19-10-12)23-14-5-3-13(4-6-14)20-15(22)11-21-7-1-2-8-21/h1-2,7-10,13-14H,3-6,11H2,(H,20,22)
InChIKeyKRPUWLIQHLIJBP-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.92
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide (PubChem CID 91626407) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
PubChem CID91626407
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C16H19FN4O2/c17-12-9-18-16(19-10-12)23-14-5-3-13(4-6-14)20-15(22)11-21-7-1-2-8-21/h1-2,7-10,13-14H,3-6,11H2,(H,20,22)
InChIKeyKRPUWLIQHLIJBP-UHFFFAOYSA-N
XLogP1.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634432
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
CID 90634332

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide (CID 91626407) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide?
The InChIKey is KRPUWLIQHLIJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-12-9-18-16(19-10-12)23-14-5-3-13(4-6-14)20-15(22)11-21-7-1-2-8-21/h1-2,7-10,13-14H,3-6,11H2,(H,20,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide has a molecular weight of 318.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 91626407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).