N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide

C17H25FN4O — CID 166605983

IUPACN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
SMILESCCc1ncnc(N2CCCC(N(C)C(=O)C3CCC3)C2)c1F
InChIInChI=1S/C17H25FN4O/c1-3-14-15(18)16(20-11-19-14)22-9-5-8-13(10-22)21(2)17(23)12-6-4-7-12/h11-13H,3-10H2,1-2H3
InChIKeyOMWVFXAEEWOILG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide

N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide (PubChem CID 166605983) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
PubChem CID166605983
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
SMILESCCc1ncnc(N2CCCC(N(C)C(=O)C3CCC3)C2)c1F
InChIInChI=1S/C17H25FN4O/c1-3-14-15(18)16(20-11-19-14)22-9-5-8-13(10-22)21(2)17(23)12-6-4-7-12/h11-13H,3-10H2,1-2H3
InChIKeyOMWVFXAEEWOILG-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602904
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
N-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166605920
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434886

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide (CID 166605983) is N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide is CCc1ncnc(N2CCCC(N(C)C(=O)C3CCC3)C2)c1F.
What is the InChIKey of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is OMWVFXAEEWOILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-3-14-15(18)16(20-11-19-14)22-9-5-8-13(10-22)21(2)17(23)12-6-4-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 166605983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).