N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide

C19H17FN4O — CID 12051168

IUPACN-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2ccncc2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O/c1-2-4-17(25)23-19-22-12-16(13-7-9-21-10-8-13)18(24-19)14-5-3-6-15(20)11-14/h3,5-12H,2,4H2,1H3,(H,22,23,24,25)
InChIKeyZDYWPXZBYBLRLO-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.08
Rot. Bonds5

About N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide

N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide (PubChem CID 12051168) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide
PubChem CID12051168
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2ccncc2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O/c1-2-4-17(25)23-19-22-12-16(13-7-9-21-10-8-13)18(24-19)14-5-3-6-15(20)11-14/h3,5-12H,2,4H2,1H3,(H,22,23,24,25)
InChIKeyZDYWPXZBYBLRLO-UHFFFAOYSA-N
XLogP4.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
CID 23000446
2-(4-ethylsulfonylphenyl)-N-[4-(4-fluorophenyl)-5-pyridin-3-ylpyrimidin-2-yl]acetamide
CID 78323482
1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
CID 152579208
N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide
CID 53206366
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136942470
3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
CID 22260857
2-(4-ethylsulfonylphenyl)-N-[4-(3-fluorobenzoyl)-5-(4-fluorophenyl)pyrimidin-2-yl]acetamide
CID 78322838
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
CID 46375026
2-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975230
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
CID 155919581

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide?
The IUPAC name of N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide (CID 12051168) is N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide is CCCC(=O)Nc1ncc(-c2ccncc2)c(-c2cccc(F)c2)n1.
What is the InChIKey of N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide?
The InChIKey is ZDYWPXZBYBLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-4-17(25)23-19-22-12-16(13-7-9-21-10-8-13)18(24-19)14-5-3-6-15(20)11-14/h3,5-12H,2,4H2,1H3,(H,22,23,24,25).
What are the key properties of N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide?
N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide has a molecular weight of 336.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide is sourced from PubChem (CID 12051168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).