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

C21H20FN3O2 — CID 67383013

IUPAC2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(CC(Cc2cccnc2)C(N)=O)c1
InChIInChI=1S/C21H20FN3O2/c1-27-20-12-17(22)4-5-19(20)15-6-8-25-18(10-15)11-16(21(23)26)9-14-3-2-7-24-13-14/h2-8,10,12-13,16H,9,11H2,1H3,(H2,23,26)
InChIKeyAIHUOXOKIBMYCG-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.18
Rot. Bonds7

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

2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 67383013) 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]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID67383013
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCOc1cc(F)ccc1-c1ccnc(CC(Cc2cccnc2)C(N)=O)c1
InChIInChI=1S/C21H20FN3O2/c1-27-20-12-17(22)4-5-19(20)15-6-8-25-18(10-15)11-16(21(23)26)9-14-3-2-7-24-13-14/h2-8,10,12-13,16H,9,11H2,1H3,(H2,23,26)
InChIKeyAIHUOXOKIBMYCG-UHFFFAOYSA-N
XLogP3.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide (CID 67383013) is 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide is COc1cc(F)ccc1-c1ccnc(CC(Cc2cccnc2)C(N)=O)c1.
What is the InChIKey of 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is AIHUOXOKIBMYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-20-12-17(22)4-5-19(20)15-6-8-25-18(10-15)11-16(21(23)26)9-14-3-2-7-24-13-14/h2-8,10,12-13,16H,9,11H2,1H3,(H2,23,26).
What are the key properties of 2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
2-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 365.41 g/mol, XLogP of 3.18, 7 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]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 67383013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).