N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C24H29FN2O4 — CID 46671883

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCOc1cc(OC)c(C2=CCN(CC(=O)NC(C)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C24H29FN2O4/c1-16(17-5-7-19(25)8-6-17)26-23(28)15-27-11-9-18(10-12-27)24-21(30-3)13-20(29-2)14-22(24)31-4/h5-9,13-14,16H,10-12,15H2,1-4H3,(H,26,28)
InChIKeySWUTVJBPJNBSOU-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.82
Rot. Bonds8

About N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 46671883) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID46671883
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCOc1cc(OC)c(C2=CCN(CC(=O)NC(C)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C24H29FN2O4/c1-16(17-5-7-19(25)8-6-17)26-23(28)15-27-11-9-18(10-12-27)24-21(30-3)13-20(29-2)14-22(24)31-4/h5-9,13-14,16H,10-12,15H2,1-4H3,(H,26,28)
InChIKeySWUTVJBPJNBSOU-UHFFFAOYSA-N
XLogP3.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 46671883) is N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is COc1cc(OC)c(C2=CCN(CC(=O)NC(C)c3ccc(F)cc3)CC2)c(OC)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is SWUTVJBPJNBSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-16(17-5-7-19(25)8-6-17)26-23(28)15-27-11-9-18(10-12-27)24-21(30-3)13-20(29-2)14-22(24)31-4/h5-9,13-14,16H,10-12,15H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 46671883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).