N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide

C19H23N3O2 — CID 134053190

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(16-5-3-2-4-6-16)13-19(23)21-18-8-7-17(14-20-18)22-9-11-24-12-10-22/h2-8,14-15H,9-13H2,1H3,(H,20,21,23)
InChIKeyNDFXVVXGPQYZBU-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.05
Rot. Bonds5

About N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide

N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide (PubChem CID 134053190) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
PubChem CID134053190
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(16-5-3-2-4-6-16)13-19(23)21-18-8-7-17(14-20-18)22-9-11-24-12-10-22/h2-8,14-15H,9-13H2,1H3,(H,20,21,23)
InChIKeyNDFXVVXGPQYZBU-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide (CID 134053190) is N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide is CC(CC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide?
The InChIKey is NDFXVVXGPQYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(16-5-3-2-4-6-16)13-19(23)21-18-8-7-17(14-20-18)22-9-11-24-12-10-22/h2-8,14-15H,9-13H2,1H3,(H,20,21,23).
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide?
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide is sourced from PubChem (CID 134053190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).