6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide

C36H54N6O4 — CID 90990073

IUPAC6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)CCCCCN(C(=O)CCC1CCCC1)c1c(C)cc(N2CCOCC2)nc1C
InChIInChI=1S/C36H54N6O4/c1-26-24-31(40-16-20-45-21-17-40)37-28(3)35(26)39-33(43)12-6-5-9-15-42(34(44)14-13-30-10-7-8-11-30)36-27(2)25-32(38-29(36)4)41-18-22-46-23-19-41/h24-25,30H,5-23H2,1-4H3,(H,39,43)
InChIKeyPWCIUDYIQXTBBX-UHFFFAOYSA-N
MW634.87 g/mol
LogP5.89
Rot. Bonds13

About 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide

6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide (PubChem CID 90990073) has the molecular formula C36H54N6O4 and a molecular weight of 634.87 g/mol. Its IUPAC name is 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide.

Molecular Properties

Compound Name6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide
PubChem CID90990073
Molecular FormulaC36H54N6O4
Molecular Weight634.87 g/mol
Exact Mass634.42
IUPAC Name6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)CCCCCN(C(=O)CCC1CCCC1)c1c(C)cc(N2CCOCC2)nc1C
InChIInChI=1S/C36H54N6O4/c1-26-24-31(40-16-20-45-21-17-40)37-28(3)35(26)39-33(43)12-6-5-9-15-42(34(44)14-13-30-10-7-8-11-30)36-27(2)25-32(38-29(36)4)41-18-22-46-23-19-41/h24-25,30H,5-23H2,1-4H3,(H,39,43)
InChIKeyPWCIUDYIQXTBBX-UHFFFAOYSA-N
XLogP5.89
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide?
The IUPAC name of 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide (CID 90990073) is 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide.
What is the SMILES notation for 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide?
The canonical SMILES for 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide is Cc1cc(N2CCOCC2)nc(C)c1NC(=O)CCCCCN(C(=O)CCC1CCCC1)c1c(C)cc(N2CCOCC2)nc1C.
What is the InChIKey of 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide?
The InChIKey is PWCIUDYIQXTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54N6O4/c1-26-24-31(40-16-20-45-21-17-40)37-28(3)35(26)39-33(43)12-6-5-9-15-42(34(44)14-13-30-10-7-8-11-30)36-27(2)25-32(38-29(36)4)41-18-22-46-23-19-41/h24-25,30H,5-23H2,1-4H3,(H,39,43).
What are the key properties of 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide?
6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide has a molecular weight of 634.87 g/mol, XLogP of 5.89, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyclopentylpropanoyl-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)amino]-N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)hexanamide is sourced from PubChem (CID 90990073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).