4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide

C13H21N3O — CID 119884880

IUPAC4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
SMILESCCC(NC(=O)CCCNC)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-12(11-6-9-15-10-7-11)16-13(17)5-4-8-14-2/h6-7,9-10,12,14H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVTMDCWZLFZDXRV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds7

About 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide

4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide (PubChem CID 119884880) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
PubChem CID119884880
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
SMILESCCC(NC(=O)CCCNC)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-12(11-6-9-15-10-7-11)16-13(17)5-4-8-14-2/h6-7,9-10,12,14H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyVTMDCWZLFZDXRV-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
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

3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
CID 95776404
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
CID 119805754
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide (CID 119884880) is 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide is CCC(NC(=O)CCCNC)c1ccncc1.
What is the InChIKey of 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide?
The InChIKey is VTMDCWZLFZDXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12(11-6-9-15-10-7-11)16-13(17)5-4-8-14-2/h6-7,9-10,12,14H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide?
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide is sourced from PubChem (CID 119884880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).