N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide

C20H21FN4O2 — CID 126783424

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cc4cc(F)ccc4o3)CC2)nc(C)n1
InChIInChI=1S/C20H21FN4O2/c1-12-9-19(23-13(2)22-12)25-7-5-16(6-8-25)24-20(26)18-11-14-10-15(21)3-4-17(14)27-18/h3-4,9-11,16H,5-8H2,1-2H3,(H,24,26)
InChIKeyLHNUJWFRYGAORV-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide (PubChem CID 126783424) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
PubChem CID126783424
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cc4cc(F)ccc4o3)CC2)nc(C)n1
InChIInChI=1S/C20H21FN4O2/c1-12-9-19(23-13(2)22-12)25-7-5-16(6-8-25)24-20(26)18-11-14-10-15(21)3-4-17(14)27-18/h3-4,9-11,16H,5-8H2,1-2H3,(H,24,26)
InChIKeyLHNUJWFRYGAORV-UHFFFAOYSA-N
XLogP3.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 124591641
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824
2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91892415
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 75495478

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide (CID 126783424) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide is Cc1cc(N2CCC(NC(=O)c3cc4cc(F)ccc4o3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is LHNUJWFRYGAORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-9-19(23-13(2)22-12)25-7-5-16(6-8-25)24-20(26)18-11-14-10-15(21)3-4-17(14)27-18/h3-4,9-11,16H,5-8H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126783424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).