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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Related Compounds

N-[6-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 147045492
N-[6-[3-cyano-4-[(2S,4S)-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129244232
N-[6-[3-cyano-4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129261015
N-[6-[3-cyano-4-[(3R,4S)-4-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129250897
N-[6-[3-cyano-4-[(3R,4S)-3-fluoro-4-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129250845
N-[6-[3-cyano-4-[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129244312
N-[6-[4-[1-[2-(1-aminoethylideneamino)-2-iminoacetyl]-3,3-difluoropiperidin-4-yl]oxy-3-cyanophenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129270859
N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 159717900
N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231292
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410357
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231297

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).