N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide

C18H21N3O2 — CID 655072

IUPACN-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C18H21N3O2/c1-2-6-17(22)21-16-11-10-15(13-19-16)20-18(23)12-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyDGMVKOIJZYRYJQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.39
Rot. Bonds7

About N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide

N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide (PubChem CID 655072) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide
PubChem CID655072
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C18H21N3O2/c1-2-6-17(22)21-16-11-10-15(13-19-16)20-18(23)12-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyDGMVKOIJZYRYJQ-UHFFFAOYSA-N
XLogP3.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide (CID 655072) is N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide?
The InChIKey is DGMVKOIJZYRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-6-17(22)21-16-11-10-15(13-19-16)20-18(23)12-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide?
N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide has a molecular weight of 311.38 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-phenylpropanoylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 655072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).