2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide

C27H23F3N6O4 — CID 176565564

IUPAC2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide
SMILESCOCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)Nc4ccc(C(F)(F)F)nc4)ccc3C)c[nH]c2=O)ccn1
InChIInChI=1S/C27H23F3N6O4/c1-15-3-4-18(34-26(39)35-19-5-6-22(32-13-19)27(28,29)30)11-20(15)17-9-21(25(38)33-12-17)16-7-8-31-23(10-16)36-24(37)14-40-2/h3-13H,14H2,1-2H3,(H,33,38)(H,31,36,37)(H2,34,35,39)
InChIKeyWEBFDOMUQUUAHL-UHFFFAOYSA-N
MW552.51 g/mol
LogP5.06
Rot. Bonds7

About 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide

2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide (PubChem CID 176565564) has the molecular formula C27H23F3N6O4 and a molecular weight of 552.51 g/mol. Its IUPAC name is 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide
PubChem CID176565564
Molecular FormulaC27H23F3N6O4
Molecular Weight552.51 g/mol
Exact Mass552.17
IUPAC Name2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide
SMILESCOCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)Nc4ccc(C(F)(F)F)nc4)ccc3C)c[nH]c2=O)ccn1
InChIInChI=1S/C27H23F3N6O4/c1-15-3-4-18(34-26(39)35-19-5-6-22(32-13-19)27(28,29)30)11-20(15)17-9-21(25(38)33-12-17)16-7-8-31-23(10-16)36-24(37)14-40-2/h3-13H,14H2,1-2H3,(H,33,38)(H,31,36,37)(H2,34,35,39)
InChIKeyWEBFDOMUQUUAHL-UHFFFAOYSA-N
XLogP5.06
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 55.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[3-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-6-oxo-1H-pyridazin-5-yl]-2-pyridinyl]acetamide
CID 176565573
N-[3-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 176572423
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
methyl N-[4-[4-[5-(3,3-dimethylbutylcarbamoylamino)-2-methyl-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 168929128
N-[4-methyl-3-[2-[2-[(1-methylcyclobutanecarbonyl)amino]-4-pyridinyl]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176572492
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide
CID 125433952

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide (CID 176565564) is 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide is COCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)Nc4ccc(C(F)(F)F)nc4)ccc3C)c[nH]c2=O)ccn1.
What is the InChIKey of 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide?
The InChIKey is WEBFDOMUQUUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6O4/c1-15-3-4-18(34-26(39)35-19-5-6-22(32-13-19)27(28,29)30)11-20(15)17-9-21(25(38)33-12-17)16-7-8-31-23(10-16)36-24(37)14-40-2/h3-13H,14H2,1-2H3,(H,33,38)(H,31,36,37)(H2,34,35,39).
What are the key properties of 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide?
2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide has a molecular weight of 552.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[5-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenyl]-2-oxo-1H-pyridin-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 176565564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).