3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide

C27H23N3O2 — CID 51939981

IUPAC3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H23N3O2/c1-19-15-16-22(18-24(19)29-26(31)21-12-6-3-7-13-21)27(32)30-25(20-10-4-2-5-11-20)23-14-8-9-17-28-23/h2-18,25H,1H3,(H,29,31)(H,30,32)/t25-/m1/s1
InChIKeyWUJDJEYZAWPSGO-RUZDIDTESA-N
MW421.50 g/mol
LogP5.16
Rot. Bonds6

About 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide

3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 51939981) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID51939981
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H23N3O2/c1-19-15-16-22(18-24(19)29-26(31)21-12-6-3-7-13-21)27(32)30-25(20-10-4-2-5-11-20)23-14-8-9-17-28-23/h2-18,25H,1H3,(H,29,31)(H,30,32)/t25-/m1/s1
InChIKeyWUJDJEYZAWPSGO-RUZDIDTESA-N
XLogP5.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
(2S)-2-[(3-benzamido-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119360446
3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 46550377
3-(methylsulfonylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78811700
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
CID 141164499
4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
CID 86963672

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide (CID 51939981) is 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide is Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is WUJDJEYZAWPSGO-RUZDIDTESA-N. The full InChI is InChI=1S/C27H23N3O2/c1-19-15-16-22(18-24(19)29-26(31)21-12-6-3-7-13-21)27(32)30-25(20-10-4-2-5-11-20)23-14-8-9-17-28-23/h2-18,25H,1H3,(H,29,31)(H,30,32)/t25-/m1/s1.
What are the key properties of 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide?
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 421.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 51939981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).