3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide

C19H25N3O — CID 113029802

IUPAC3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-15(2)13-19(23)22-18-11-10-17(14-21-18)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,20H,6,9,12-13H2,1-2H3,(H,21,22,23)
InChIKeyBRKLITRLIIDYSP-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.11
Rot. Bonds8

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

3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide (PubChem CID 113029802) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
PubChem CID113029802
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-15(2)13-19(23)22-18-11-10-17(14-21-18)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,20H,6,9,12-13H2,1-2H3,(H,21,22,23)
InChIKeyBRKLITRLIIDYSP-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
CID 113029848
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
CID 113029807
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide (CID 113029802) is 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide?
The InChIKey is BRKLITRLIIDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(2)13-19(23)22-18-11-10-17(14-21-18)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,20H,6,9,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide?
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113029802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).