2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide

C21H20FN3O2 — CID 140628303

IUPAC2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(C(C)(Cc2cccnc2)C(N)=O)c1
InChIInChI=1S/C21H20FN3O2/c1-21(20(23)26,12-14-4-3-8-24-13-14)19-10-15(7-9-25-19)17-6-5-16(22)11-18(17)27-2/h3-11,13H,12H2,1-2H3,(H2,23,26)
InChIKeyUVTHGKGDOFOMIO-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.28
Rot. Bonds6

About 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide

2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide (PubChem CID 140628303) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
PubChem CID140628303
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(C(C)(Cc2cccnc2)C(N)=O)c1
InChIInChI=1S/C21H20FN3O2/c1-21(20(23)26,12-14-4-3-8-24-13-14)19-10-15(7-9-25-19)17-6-5-16(22)11-18(17)27-2/h3-11,13H,12H2,1-2H3,(H2,23,26)
InChIKeyUVTHGKGDOFOMIO-UHFFFAOYSA-N
XLogP3.28
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
CID 53380065
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 54582823
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-pyridin-4-ylacetamide
CID 53379885
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
CID 53380063
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
6-(4-fluoro-2-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134805475
2-cyclohexyl-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
CID 53379793
4-(4-fluoro-2-methoxyphenyl)pyrido[3,4-d]pyridazin-1-amine
CID 170279897
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide (CID 140628303) is 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide is COc1cc(F)ccc1-c1ccnc(C(C)(Cc2cccnc2)C(N)=O)c1.
What is the InChIKey of 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is UVTHGKGDOFOMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-21(20(23)26,12-14-4-3-8-24-13-14)19-10-15(7-9-25-19)17-6-5-16(22)11-18(17)27-2/h3-11,13H,12H2,1-2H3,(H2,23,26).
What are the key properties of 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide?
2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 365.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 140628303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).