N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide

C15H11FN4O — CID 129243996

IUPACN-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2cc(NC(=O)C3CC3)ncn2)ccc1F
InChIInChI=1S/C15H11FN4O/c16-12-4-3-10(5-11(12)7-17)13-6-14(19-8-18-13)20-15(21)9-1-2-9/h3-6,8-9H,1-2H2,(H,18,19,20,21)
InChIKeyKKWGIEHCPKHJLB-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.50
Rot. Bonds3

About N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 129243996) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID129243996
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC NameN-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2cc(NC(=O)C3CC3)ncn2)ccc1F
InChIInChI=1S/C15H11FN4O/c16-12-4-3-10(5-11(12)7-17)13-6-14(19-8-18-13)20-15(21)9-1-2-9/h3-6,8-9H,1-2H2,(H,18,19,20,21)
InChIKeyKKWGIEHCPKHJLB-UHFFFAOYSA-N
XLogP2.50
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide (CID 129243996) is N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide is N#Cc1cc(-c2cc(NC(=O)C3CC3)ncn2)ccc1F.
What is the InChIKey of N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is KKWGIEHCPKHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-12-4-3-10(5-11(12)7-17)13-6-14(19-8-18-13)20-15(21)9-1-2-9/h3-6,8-9H,1-2H2,(H,18,19,20,21).
What are the key properties of N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 282.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 129243996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).