N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide

C26H26N4O2 — CID 144765851

IUPACN-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCc2ccccn2)cc1C
InChIInChI=1S/C26H26N4O2/c1-18-6-11-22(15-19(18)2)25(31)30-24(16-20-7-9-21(17-27)10-8-20)26(32)29-14-12-23-5-3-4-13-28-23/h3-11,13,15,24H,12,14,16H2,1-2H3,(H,29,32)(H,30,31)/t24-/m1/s1
InChIKeyATCQETJHVDKEQJ-XMMPIXPASA-N
MW426.52 g/mol
LogP3.27
Rot. Bonds8

About N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide

N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide (PubChem CID 144765851) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
PubChem CID144765851
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCc2ccccn2)cc1C
InChIInChI=1S/C26H26N4O2/c1-18-6-11-22(15-19(18)2)25(31)30-24(16-20-7-9-21(17-27)10-8-20)26(32)29-14-12-23-5-3-4-13-28-23/h3-11,13,15,24H,12,14,16H2,1-2H3,(H,29,32)(H,30,31)/t24-/m1/s1
InChIKeyATCQETJHVDKEQJ-XMMPIXPASA-N
XLogP3.27
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide with MolForge

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Related Compounds

4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 42695951
4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide
CID 101492596
4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 144765894
3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide
CID 144765905
N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide
CID 144765836
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(2-pyridin-2-ylethyl)urea
CID 143698728
3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627984
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111192072
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 71499401
N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
CID 123481458

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide (CID 144765851) is N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCc2ccccn2)cc1C.
What is the InChIKey of N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide?
The InChIKey is ATCQETJHVDKEQJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-6-11-22(15-19(18)2)25(31)30-24(16-20-7-9-21(17-27)10-8-20)26(32)29-14-12-23-5-3-4-13-28-23/h3-11,13,15,24H,12,14,16H2,1-2H3,(H,29,32)(H,30,31)/t24-/m1/s1.
What are the key properties of N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide?
N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide has a molecular weight of 426.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 144765851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).