2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide

C34H41N3O — CID 11577058

IUPAC2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide
SMILESCC(NC(=O)C(CCCCn1cc(-c2ccccc2)c2cccnc21)C1CCCCCC1)c1ccccc1
InChIInChI=1S/C34H41N3O/c1-26(27-15-8-4-9-16-27)36-34(38)30(28-17-6-2-3-7-18-28)21-12-13-24-37-25-32(29-19-10-5-11-20-29)31-22-14-23-35-33(31)37/h4-5,8-11,14-16,19-20,22-23,25-26,28,30H,2-3,6-7,12-13,17-18,21,24H2,1H3,(H,36,38)
InChIKeyYDCBHAIZTUQQDM-UHFFFAOYSA-N
MW507.72 g/mol
LogP8.34
Rot. Bonds10

About 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide

2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide (PubChem CID 11577058) has the molecular formula C34H41N3O and a molecular weight of 507.72 g/mol. Its IUPAC name is 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide
PubChem CID11577058
Molecular FormulaC34H41N3O
Molecular Weight507.72 g/mol
Exact Mass507.32
IUPAC Name2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide
SMILESCC(NC(=O)C(CCCCn1cc(-c2ccccc2)c2cccnc21)C1CCCCCC1)c1ccccc1
InChIInChI=1S/C34H41N3O/c1-26(27-15-8-4-9-16-27)36-34(38)30(28-17-6-2-3-7-18-28)21-12-13-24-37-25-32(29-19-10-5-11-20-29)31-22-14-23-35-33(31)37/h4-5,8-11,14-16,19-20,22-23,25-26,28,30H,2-3,6-7,12-13,17-18,21,24H2,1H3,(H,36,38)
InChIKeyYDCBHAIZTUQQDM-UHFFFAOYSA-N
XLogP8.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.72
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide
CID 11533976
6-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclohexyl-N-(pyridin-2-ylmethyl)hexanamide;2-cyclohexyl-6-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)hexanamide;2-cyclohexyl-N-(pyridin-2-ylmethyl)-6-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)hexanamide;diethyl(pyridin-3-yl)borane;(4-methylphenyl)boronic acid
CID 160549802
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174159
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
(2R)-5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-methyl-N-[(1S)-1-phenylethyl]pentanamide
CID 11824579
(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 6667454

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide?
The IUPAC name of 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide (CID 11577058) is 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide.
What is the SMILES notation for 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide?
The canonical SMILES for 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide is CC(NC(=O)C(CCCCn1cc(-c2ccccc2)c2cccnc21)C1CCCCCC1)c1ccccc1.
What is the InChIKey of 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide?
The InChIKey is YDCBHAIZTUQQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O/c1-26(27-15-8-4-9-16-27)36-34(38)30(28-17-6-2-3-7-18-28)21-12-13-24-37-25-32(29-19-10-5-11-20-29)31-22-14-23-35-33(31)37/h4-5,8-11,14-16,19-20,22-23,25-26,28,30H,2-3,6-7,12-13,17-18,21,24H2,1H3,(H,36,38).
What are the key properties of 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide?
2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide has a molecular weight of 507.72 g/mol, XLogP of 8.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide is sourced from PubChem (CID 11577058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).