3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide

C19H17FN4O2 — CID 135963159

IUPAC3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1cc(=O)[nH]c(-c2ccncc2)n1
InChIInChI=1S/C19H17FN4O2/c20-16-4-2-1-3-13(16)5-6-17(25)22-12-15-11-18(26)24-19(23-15)14-7-9-21-10-8-14/h1-4,7-11H,5-6,12H2,(H,22,25)(H,23,24,26)
InChIKeyPQCPJZVFACKRLI-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.22
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide

3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide (PubChem CID 135963159) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide
PubChem CID135963159
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1cc(=O)[nH]c(-c2ccncc2)n1
InChIInChI=1S/C19H17FN4O2/c20-16-4-2-1-3-13(16)5-6-17(25)22-12-15-11-18(26)24-19(23-15)14-7-9-21-10-8-14/h1-4,7-11H,5-6,12H2,(H,22,25)(H,23,24,26)
InChIKeyPQCPJZVFACKRLI-UHFFFAOYSA-N
XLogP2.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 46956959
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
CID 91788479
N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110333023
2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136682072
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
4-(phenylsulfanylmethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 135426523
N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 135963145
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide
CID 136858596
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide (CID 135963159) is 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide is O=C(CCc1ccccc1F)NCc1cc(=O)[nH]c(-c2ccncc2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide?
The InChIKey is PQCPJZVFACKRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-16-4-2-1-3-13(16)5-6-17(25)22-12-15-11-18(26)24-19(23-15)14-7-9-21-10-8-14/h1-4,7-11H,5-6,12H2,(H,22,25)(H,23,24,26).
What are the key properties of 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide has a molecular weight of 352.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 135963159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).