N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide

C19H17FN4O2 — CID 136816281

IUPACN-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc(CC(NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1
InChIInChI=1S/C19H17FN4O2/c1-12-22-15(11-18(25)23-12)10-17(13-5-7-14(20)8-6-13)24-19(26)16-4-2-3-9-21-16/h2-9,11,17H,10H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyCJQLRWRHFVEAAP-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.33
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide

N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 136816281) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID136816281
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc(CC(NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1
InChIInChI=1S/C19H17FN4O2/c1-12-22-15(11-18(25)23-12)10-17(13-5-7-14(20)8-6-13)24-19(26)16-4-2-3-9-21-16/h2-9,11,17H,10H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyCJQLRWRHFVEAAP-UHFFFAOYSA-N
XLogP2.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 136816284
5-tert-butyl-N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 136763798
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
CID 136907963
N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 136735471
N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide
CID 136891450
2-(benzotriazol-1-yl)-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136816285
N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide
CID 136860537
N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 136816353
N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide
CID 136891459
N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 136764028

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide (CID 136816281) is N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide is Cc1nc(CC(NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is CJQLRWRHFVEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-22-15(11-18(25)23-12)10-17(13-5-7-14(20)8-6-13)24-19(26)16-4-2-3-9-21-16/h2-9,11,17H,10H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide?
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 136816281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).