3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide

C24H21F4N3O3 — CID 70663495

IUPAC3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(CCC(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C24H21F4N3O3/c1-31(20-13-30-8-7-18(20)19-5-4-17(25)12-21(19)34-2)23(33)15-9-14(3-6-22(29)32)10-16(11-15)24(26,27)28/h4-5,7-13H,3,6H2,1-2H3,(H2,29,32)
InChIKeyNPZBTBUYDRGFCA-UHFFFAOYSA-N
MW475.44 g/mol
LogP4.61
Rot. Bonds7

About 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide

3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70663495) has the molecular formula C24H21F4N3O3 and a molecular weight of 475.44 g/mol. Its IUPAC name is 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID70663495
Molecular FormulaC24H21F4N3O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC Name3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(CCC(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C24H21F4N3O3/c1-31(20-13-30-8-7-18(20)19-5-4-17(25)12-21(19)34-2)23(33)15-9-14(3-6-22(29)32)10-16(11-15)24(26,27)28/h4-5,7-13H,3,6H2,1-2H3,(H2,29,32)
InChIKeyNPZBTBUYDRGFCA-UHFFFAOYSA-N
XLogP4.61
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide (CID 70663495) is 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide is COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(CCC(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is NPZBTBUYDRGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O3/c1-31(20-13-30-8-7-18(20)19-5-4-17(25)12-21(19)34-2)23(33)15-9-14(3-6-22(29)32)10-16(11-15)24(26,27)28/h4-5,7-13H,3,6H2,1-2H3,(H2,29,32).
What are the key properties of 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 475.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-oxopropyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).