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

C21H20FN3O2 — CID 67383002

IUPAC4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide
SMILESCOc1cc(F)ccc1-c1ccnc(CC(CC(N)=O)c2cccnc2)c1
InChIInChI=1S/C21H20FN3O2/c1-27-20-12-17(22)4-5-19(20)14-6-8-25-18(9-14)10-16(11-21(23)26)15-3-2-7-24-13-15/h2-9,12-13,16H,10-11H2,1H3,(H2,23,26)
InChIKeyQPEZZWRBSZYQJE-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.49
Rot. Bonds7

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

4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide (PubChem CID 67383002) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide
PubChem CID67383002
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide
SMILESCOc1cc(F)ccc1-c1ccnc(CC(CC(N)=O)c2cccnc2)c1
InChIInChI=1S/C21H20FN3O2/c1-27-20-12-17(22)4-5-19(20)14-6-8-25-18(9-14)10-16(11-21(23)26)15-3-2-7-24-13-15/h2-9,12-13,16H,10-11H2,1H3,(H2,23,26)
InChIKeyQPEZZWRBSZYQJE-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide?
The IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide (CID 67383002) is 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide is COc1cc(F)ccc1-c1ccnc(CC(CC(N)=O)c2cccnc2)c1.
What is the InChIKey of 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide?
The InChIKey is QPEZZWRBSZYQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-20-12-17(22)4-5-19(20)14-6-8-25-18(9-14)10-16(11-21(23)26)15-3-2-7-24-13-15/h2-9,12-13,16H,10-11H2,1H3,(H2,23,26).
What are the key properties of 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide?
4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide has a molecular weight of 365.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 67383002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).