N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C22H19ClF3N3O4 — CID 117074234

IUPACN-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1[nH]c(=O)c(C(=O)NCCc2ccc(Cl)cc2)cc1-c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18ClN3O2.C2HF3O2/c1-13-17(15-7-9-22-10-8-15)12-18(20(26)24-13)19(25)23-11-6-14-2-4-16(21)5-3-14;3-2(4,5)1(6)7/h2-5,7-10,12H,6,11H2,1H3,(H,23,25)(H,24,26);(H,6,7)
InChIKeyXWKODSAHMVQIAR-UHFFFAOYSA-N
MW481.86 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117074234) has the molecular formula C22H19ClF3N3O4 and a molecular weight of 481.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117074234
Molecular FormulaC22H19ClF3N3O4
Molecular Weight481.86 g/mol
Exact Mass481.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1[nH]c(=O)c(C(=O)NCCc2ccc(Cl)cc2)cc1-c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18ClN3O2.C2HF3O2/c1-13-17(15-7-9-22-10-8-15)12-18(20(26)24-13)19(25)23-11-6-14-2-4-16(21)5-3-14;3-2(4,5)1(6)7/h2-5,7-10,12H,6,11H2,1H3,(H,23,25)(H,24,26);(H,6,7)
InChIKeyXWKODSAHMVQIAR-UHFFFAOYSA-N
XLogP4.00
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.86
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117074234) is N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1[nH]c(=O)c(C(=O)NCCc2ccc(Cl)cc2)cc1-c1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XWKODSAHMVQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2.C2HF3O2/c1-13-17(15-7-9-22-10-8-15)12-18(20(26)24-13)19(25)23-11-6-14-2-4-16(21)5-3-14;3-2(4,5)1(6)7/h2-5,7-10,12H,6,11H2,1H3,(H,23,25)(H,24,26);(H,6,7).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 481.86 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117074234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).