(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide

C31H34N4O2 — CID 25309220

IUPAC(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
SMILESCCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C31H34N4O2/c1-2-22-14-16-26(17-15-22)35(29(36)19-24-21-33-28-13-7-6-12-27(24)28)30(23-9-8-18-32-20-23)31(37)34-25-10-4-3-5-11-25/h6-9,12-18,20-21,25,30,33H,2-5,10-11,19H2,1H3,(H,34,37)/t30-/m0/s1
InChIKeyGYIUHSVLJABNQK-PMERELPUSA-N
MW494.64 g/mol
LogP5.89
Rot. Bonds8

About (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide

(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide (PubChem CID 25309220) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
PubChem CID25309220
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
SMILESCCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C31H34N4O2/c1-2-22-14-16-26(17-15-22)35(29(36)19-24-21-33-28-13-7-6-12-27(24)28)30(23-9-8-18-32-20-23)31(37)34-25-10-4-3-5-11-25/h6-9,12-18,20-21,25,30,33H,2-5,10-11,19H2,1H3,(H,34,37)/t30-/m0/s1
InChIKeyGYIUHSVLJABNQK-PMERELPUSA-N
XLogP5.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
CID 25309103
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-ethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 3191893
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 3190799
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705
(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097673
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097675
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 40785913
N-cyclohexyl-2-(4-hydroxy-3-methoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-propan-2-ylanilino)acetamide
CID 122437270
(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 25309286
(2S)-N-cyclohexyl-2-(4-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
CID 1430249
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-ethoxyphenyl)acetamide
CID 98097728

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide (CID 25309220) is (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide is CCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide?
The InChIKey is GYIUHSVLJABNQK-PMERELPUSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-2-22-14-16-26(17-15-22)35(29(36)19-24-21-33-28-13-7-6-12-27(24)28)30(23-9-8-18-32-20-23)31(37)34-25-10-4-3-5-11-25/h6-9,12-18,20-21,25,30,33H,2-5,10-11,19H2,1H3,(H,34,37)/t30-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide?
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide has a molecular weight of 494.64 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 25309220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).