N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

C21H21FN4O2 — CID 167546212

IUPACN-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1F
InChIInChI=1S/C21H21FN4O2/c1-4-21(28)26(3)19-8-6-14(11-17(19)22)18-7-5-15(13-23-18)20(27)12-16-9-10-25(2)24-16/h5-11,13H,4,12H2,1-3H3
InChIKeyWRBQMSXDOCNAMG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.42
Rot. Bonds6

About N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167546212) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167546212
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1F
InChIInChI=1S/C21H21FN4O2/c1-4-21(28)26(3)19-8-6-14(11-17(19)22)18-7-5-15(13-23-18)20(27)12-16-9-10-25(2)24-16/h5-11,13H,4,12H2,1-3H3
InChIKeyWRBQMSXDOCNAMG-UHFFFAOYSA-N
XLogP3.42
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167546210
N-[2-fluoro-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[4-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]phenyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167616106
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869841
N-[3-fluoro-4-[5-[2-(1-methylpyrazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167663805
N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167662284
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869123
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
1-[4-(2-aminoethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 116577667
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497
N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (CID 167546212) is N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is WRBQMSXDOCNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-4-21(28)26(3)19-8-6-14(11-17(19)22)18-7-5-15(13-23-18)20(27)12-16-9-10-25(2)24-16/h5-11,13H,4,12H2,1-3H3.
What are the key properties of N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 380.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167546212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).