5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide

C24H28N4O — CID 45484319

IUPAC5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESCN(CCCCC(=O)Nc1ccc(-c2cccnc2)cc1)CCc1ccccn1
InChIInChI=1S/C24H28N4O/c1-28(18-14-22-8-2-4-16-26-22)17-5-3-9-24(29)27-23-12-10-20(11-13-23)21-7-6-15-25-19-21/h2,4,6-8,10-13,15-16,19H,3,5,9,14,17-18H2,1H3,(H,27,29)
InChIKeyDUPNVVSJHGJVRU-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.43
Rot. Bonds10

About 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide

5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide (PubChem CID 45484319) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide
PubChem CID45484319
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESCN(CCCCC(=O)Nc1ccc(-c2cccnc2)cc1)CCc1ccccn1
InChIInChI=1S/C24H28N4O/c1-28(18-14-22-8-2-4-16-26-22)17-5-3-9-24(29)27-23-12-10-20(11-13-23)21-7-6-15-25-19-21/h2,4,6-8,10-13,15-16,19H,3,5,9,14,17-18H2,1H3,(H,27,29)
InChIKeyDUPNVVSJHGJVRU-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide?
The IUPAC name of 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide (CID 45484319) is 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide.
What is the SMILES notation for 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide?
The canonical SMILES for 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide is CN(CCCCC(=O)Nc1ccc(-c2cccnc2)cc1)CCc1ccccn1.
What is the InChIKey of 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide?
The InChIKey is DUPNVVSJHGJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-28(18-14-22-8-2-4-16-26-22)17-5-3-9-24(29)27-23-12-10-20(11-13-23)21-7-6-15-25-19-21/h2,4,6-8,10-13,15-16,19H,3,5,9,14,17-18H2,1H3,(H,27,29).
What are the key properties of 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide?
5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide has a molecular weight of 388.52 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-2-ylethyl)amino]-N-(4-pyridin-3-ylphenyl)pentanamide is sourced from PubChem (CID 45484319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).