N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C28H26F3N5O2 — CID 169024674

IUPACN-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C2=CC(c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)=CN(C)C2C)ccn1
InChIInChI=1S/C28H26F3N5O2/c1-16-5-6-22(35-27(38)20-8-9-32-25(12-20)28(29,30)31)14-23(16)21-11-24(17(2)36(4)15-21)19-7-10-33-26(13-19)34-18(3)37/h5-15,17H,1-4H3,(H,35,38)(H,33,34,37)
InChIKeyGTRPZLWFIJUVDH-UHFFFAOYSA-N
MW521.54 g/mol
LogP5.77
Rot. Bonds5

About N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 169024674) has the molecular formula C28H26F3N5O2 and a molecular weight of 521.54 g/mol. Its IUPAC name is N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID169024674
Molecular FormulaC28H26F3N5O2
Molecular Weight521.54 g/mol
Exact Mass521.20
IUPAC NameN-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C2=CC(c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)=CN(C)C2C)ccn1
InChIInChI=1S/C28H26F3N5O2/c1-16-5-6-22(35-27(38)20-8-9-32-25(12-20)28(29,30)31)14-23(16)21-11-24(17(2)36(4)15-21)19-7-10-33-26(13-19)34-18(3)37/h5-15,17H,1-4H3,(H,35,38)(H,33,34,37)
InChIKeyGTRPZLWFIJUVDH-UHFFFAOYSA-N
XLogP5.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.54
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[3-[(4aR,6R)-6-methyl-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272305
N-[3-[(4aR,6S)-6-methyl-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272376
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
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[3-[2-(2-hydroxypropan-2-yl)-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930288
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930438
N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 168930442
N-[3-[5-[cyano(ethyl)amino]-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 140809737

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 169024674) is N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CC(=O)Nc1cc(C2=CC(c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)=CN(C)C2C)ccn1.
What is the InChIKey of N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GTRPZLWFIJUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O2/c1-16-5-6-22(35-27(38)20-8-9-32-25(12-20)28(29,30)31)14-23(16)21-11-24(17(2)36(4)15-21)19-7-10-33-26(13-19)34-18(3)37/h5-15,17H,1-4H3,(H,35,38)(H,33,34,37).
What are the key properties of N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 521.54 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 169024674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).