3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide

C24H28N4O — CID 149258172

IUPAC3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide
SMILESCC(C)c1cccnc1CN(CCC(N)=O)Cc1ncccc1-c1ccccc1
InChIInChI=1S/C24H28N4O/c1-18(2)20-10-6-13-26-22(20)16-28(15-12-24(25)29)17-23-21(11-7-14-27-23)19-8-4-3-5-9-19/h3-11,13-14,18H,12,15-17H2,1-2H3,(H2,25,29)
InChIKeyXOSNIIAIFKDSQJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.14
Rot. Bonds9

About 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide

3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide (PubChem CID 149258172) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide.

Molecular Properties

Compound Name3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide
PubChem CID149258172
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide
SMILESCC(C)c1cccnc1CN(CCC(N)=O)Cc1ncccc1-c1ccccc1
InChIInChI=1S/C24H28N4O/c1-18(2)20-10-6-13-26-22(20)16-28(15-12-24(25)29)17-23-21(11-7-14-27-23)19-8-4-3-5-9-19/h3-11,13-14,18H,12,15-17H2,1-2H3,(H2,25,29)
InChIKeyXOSNIIAIFKDSQJ-UHFFFAOYSA-N
XLogP4.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide?
The IUPAC name of 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide (CID 149258172) is 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide.
What is the SMILES notation for 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide?
The canonical SMILES for 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide is CC(C)c1cccnc1CN(CCC(N)=O)Cc1ncccc1-c1ccccc1.
What is the InChIKey of 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide?
The InChIKey is XOSNIIAIFKDSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18(2)20-10-6-13-26-22(20)16-28(15-12-24(25)29)17-23-21(11-7-14-27-23)19-8-4-3-5-9-19/h3-11,13-14,18H,12,15-17H2,1-2H3,(H2,25,29).
What are the key properties of 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide?
3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide has a molecular weight of 388.52 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]propanamide is sourced from PubChem (CID 149258172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).