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

C30H32N4O2 — CID 3190864

IUPACN-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C30H32N4O2/c1-21-13-15-25(16-14-21)34(28(35)18-23-20-32-27-12-6-5-11-26(23)27)29(22-8-7-17-31-19-22)30(36)33-24-9-3-2-4-10-24/h5-8,11-17,19-20,24,29,32H,2-4,9-10,18H2,1H3,(H,33,36)
InChIKeyBYEVBBBJTXOCNP-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.64
Rot. Bonds7

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

N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide (PubChem CID 3190864) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
PubChem CID3190864
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C30H32N4O2/c1-21-13-15-25(16-14-21)34(28(35)18-23-20-32-27-12-6-5-11-26(23)27)29(22-8-7-17-31-19-22)30(36)33-24-9-3-2-4-10-24/h5-8,11-17,19-20,24,29,32H,2-4,9-10,18H2,1H3,(H,33,36)
InChIKeyBYEVBBBJTXOCNP-UHFFFAOYSA-N
XLogP5.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
CID 25309220
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
CID 25309103
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
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 155530877
(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
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3190745

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide (CID 3190864) is N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide is Cc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2cccnc2)cc1.
What is the InChIKey of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide?
The InChIKey is BYEVBBBJTXOCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-21-13-15-25(16-14-21)34(28(35)18-23-20-32-27-12-6-5-11-26(23)27)29(22-8-7-17-31-19-22)30(36)33-24-9-3-2-4-10-24/h5-8,11-17,19-20,24,29,32H,2-4,9-10,18H2,1H3,(H,33,36).
What are the key properties of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide?
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide has a molecular weight of 480.61 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 3190864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).