5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide

C33H38N6O2 — CID 162653677

IUPAC5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C33H38N6O2/c40-32(21-26-24-36-30-10-3-1-8-28(26)30)39-18-16-38(17-19-39)31-11-4-2-9-29(31)25-20-27(23-34-22-25)33(41)35-12-7-15-37-13-5-6-14-37/h1-4,8-11,20,22-24,36H,5-7,12-19,21H2,(H,35,41)
InChIKeyLQCHLDUASAOIMJ-UHFFFAOYSA-N
MW550.71 g/mol
LogP4.34
Rot. Bonds9

About 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide

5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 162653677) has the molecular formula C33H38N6O2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID162653677
Molecular FormulaC33H38N6O2
Molecular Weight550.71 g/mol
Exact Mass550.31
IUPAC Name5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C33H38N6O2/c40-32(21-26-24-36-30-10-3-1-8-28(26)30)39-18-16-38(17-19-39)31-11-4-2-9-29(31)25-20-27(23-34-22-25)33(41)35-12-7-15-37-13-5-6-14-37/h1-4,8-11,20,22-24,36H,5-7,12-19,21H2,(H,35,41)
InChIKeyLQCHLDUASAOIMJ-UHFFFAOYSA-N
XLogP4.34
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.71
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Indoramin
CID 33625
Enzastaurin
CID 176167
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Pruvanserin
CID 6433122
LY-517717
CID 9939865
Bisindolylmaleimide VIII
CID 2403
Indoramin hydrochloride
CID 38102
Tryptamide
CID 65768
1H-indole-3-carboxamide
CID 2192542
5-Fluoro CUMYL-PICA
CID 117650397
Rhetsinine
CID 99652

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide (CID 162653677) is 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is LQCHLDUASAOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O2/c40-32(21-26-24-36-30-10-3-1-8-28(26)30)39-18-16-38(17-19-39)31-11-4-2-9-29(31)25-20-27(23-34-22-25)33(41)35-12-7-15-37-13-5-6-14-37/h1-4,8-11,20,22-24,36H,5-7,12-19,21H2,(H,35,41).
What are the key properties of 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 550.71 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 162653677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).