1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C27H34N4O3 — CID 26339286

IUPAC1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCCc2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C27H34N4O3/c1-18(2)15-30(3)27(34)23-17-31(20-8-4-5-9-20)16-22(25(23)32)26(33)28-13-12-19-14-29-24-11-7-6-10-21(19)24/h6-7,10-11,14,16-18,20,29H,4-5,8-9,12-13,15H2,1-3H3,(H,28,33)
InChIKeyIWSOGJKSWCLHCU-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.15
Rot. Bonds8

About 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26339286) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID26339286
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCCc2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C27H34N4O3/c1-18(2)15-30(3)27(34)23-17-31(20-8-4-5-9-20)16-22(25(23)32)26(33)28-13-12-19-14-29-24-11-7-6-10-21(19)24/h6-7,10-11,14,16-18,20,29H,4-5,8-9,12-13,15H2,1-3H3,(H,28,33)
InChIKeyIWSOGJKSWCLHCU-UHFFFAOYSA-N
XLogP4.15
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 26339286) is 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCCc2c[nH]c3ccccc23)c1=O.
What is the InChIKey of 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is IWSOGJKSWCLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-18(2)15-30(3)27(34)23-17-31(20-8-4-5-9-20)16-22(25(23)32)26(33)28-13-12-19-14-29-24-11-7-6-10-21(19)24/h6-7,10-11,14,16-18,20,29H,4-5,8-9,12-13,15H2,1-3H3,(H,28,33).
What are the key properties of 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26339286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).