(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide

C26H26N4O2 — CID 162661530

IUPAC(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1cccnc1
InChIInChI=1S/C26H26N4O2/c1-18-22(21-12-6-7-13-23(21)28-18)16-25(31)29-24(15-19-9-4-3-5-10-19)26(32)30(2)20-11-8-14-27-17-20/h3-14,17,24,28H,15-16H2,1-2H3,(H,29,31)/t24-/m0/s1
InChIKeyDSKJLBRHOBZJHZ-DEOSSOPVSA-N
MW426.52 g/mol
LogP3.80
Rot. Bonds7

About (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide

(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide (PubChem CID 162661530) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide
PubChem CID162661530
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1cccnc1
InChIInChI=1S/C26H26N4O2/c1-18-22(21-12-6-7-13-23(21)28-18)16-25(31)29-24(15-19-9-4-3-5-10-19)26(32)30(2)20-11-8-14-27-17-20/h3-14,17,24,28H,15-16H2,1-2H3,(H,29,31)/t24-/m0/s1
InChIKeyDSKJLBRHOBZJHZ-DEOSSOPVSA-N
XLogP3.80
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 162654341
N-(1,3-benzodioxol-5-yl)-2-[[2-(7-ethenyl-2-methyl-1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 77451421
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
(2S)-N-(1,3-benzothiazol-6-yl)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162671805
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 162668810
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide (CID 162661530) is (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide is Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1cccnc1.
What is the InChIKey of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide?
The InChIKey is DSKJLBRHOBZJHZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-22(21-12-6-7-13-23(21)28-18)16-25(31)29-24(15-19-9-4-3-5-10-19)26(32)30(2)20-11-8-14-27-17-20/h3-14,17,24,28H,15-16H2,1-2H3,(H,29,31)/t24-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide?
(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide has a molecular weight of 426.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 162661530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).