2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

C28H26N4O2 — CID 76971075

IUPAC2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](c1ccncc1)[C@@H](NC(=O)c1ccccc1C)c1ccncc1
InChIInChI=1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)/t25-,26+
InChIKeyXOCZGIFMFBFPGQ-WMPKNSHKSA-N
MW450.54 g/mol
LogP4.74
Rot. Bonds7

About 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide

2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide (PubChem CID 76971075) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
PubChem CID76971075
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](c1ccncc1)[C@@H](NC(=O)c1ccccc1C)c1ccncc1
InChIInChI=1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)/t25-,26+
InChIKeyXOCZGIFMFBFPGQ-WMPKNSHKSA-N
XLogP4.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 11303227
1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861334
sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861333
ethane;2-hydroxy-N-[(2S)-2-[(2-hydroxybenzoyl)amino]-1,2-diphenylethyl]benzamide
CID 90876607
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide (CID 76971075) is 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide is Cc1ccccc1C(=O)N[C@H](c1ccncc1)[C@@H](NC(=O)c1ccccc1C)c1ccncc1.
What is the InChIKey of 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
The InChIKey is XOCZGIFMFBFPGQ-WMPKNSHKSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)/t25-,26+.
What are the key properties of 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide?
2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide is sourced from PubChem (CID 76971075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).