5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H23F3N4O4 — CID 11852976

IUPAC5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(CCC(N)=O)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4/c1-13-15(7-8-21(28)32)9-19(22(33)29-12-18-11-20(30-35-18)14-5-6-14)23(34)31(13)17-4-2-3-16(10-17)24(25,26)27/h2-4,9-11,14H,5-8,12H2,1H3,(H2,28,32)(H,29,33)
InChIKeyTWICYNPLLFUXDQ-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.38
Rot. Bonds8

About 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852976) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852976
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(CCC(N)=O)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4/c1-13-15(7-8-21(28)32)9-19(22(33)29-12-18-11-20(30-35-18)14-5-6-14)23(34)31(13)17-4-2-3-16(10-17)24(25,26)27/h2-4,9-11,14H,5-8,12H2,1H3,(H2,28,32)(H,29,33)
InChIKeyTWICYNPLLFUXDQ-UHFFFAOYSA-N
XLogP3.38
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852976) is 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(CCC(N)=O)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is TWICYNPLLFUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-13-15(7-8-21(28)32)9-19(22(33)29-12-18-11-20(30-35-18)14-5-6-14)23(34)31(13)17-4-2-3-16(10-17)24(25,26)27/h2-4,9-11,14H,5-8,12H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-3-oxopropyl)-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).