N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide

C12H20N4O — CID 60843296

IUPACN-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C12H20N4O/c1-13-7-4-5-12(17)15-10-9-14-8-6-11(10)16(2)3/h6,8-9,13H,4-5,7H2,1-3H3,(H,15,17)
InChIKeyBRGFUKKRSQZLRI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.09
Rot. Bonds6

About N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide

N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide (PubChem CID 60843296) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
PubChem CID60843296
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C12H20N4O/c1-13-7-4-5-12(17)15-10-9-14-8-6-11(10)16(2)3/h6,8-9,13H,4-5,7H2,1-3H3,(H,15,17)
InChIKeyBRGFUKKRSQZLRI-UHFFFAOYSA-N
XLogP1.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide
CID 79287454
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
(Z)-4-[[4-(dimethylamino)-3-pyridinyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169837
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide
CID 79797542
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
CID 63374978
4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 43697150

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
The IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide (CID 60843296) is N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1cnccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
The InChIKey is BRGFUKKRSQZLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-7-4-5-12(17)15-10-9-14-8-6-11(10)16(2)3/h6,8-9,13H,4-5,7H2,1-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide has a molecular weight of 236.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60843296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).