N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide

C12H20N4O — CID 60842943

IUPACN-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C12H20N4O/c1-13-8-4-5-12(17)15-10-6-7-11(14-9-10)16(2)3/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyFBDLDAIFGRQOJT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.09
Rot. Bonds6

About N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide

N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide (PubChem CID 60842943) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
PubChem CID60842943
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C12H20N4O/c1-13-8-4-5-12(17)15-10-6-7-11(14-9-10)16(2)3/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyFBDLDAIFGRQOJT-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'}

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Related Compounds

4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 30294941
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methoxyphenoxy)acetamide
CID 46699606
3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
CID 30296888
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
2-amino-N-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]acetamide
CID 54928218
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
CID 119846827
N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
CID 30295210
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide (CID 60842943) is N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
The InChIKey is FBDLDAIFGRQOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-8-4-5-12(17)15-10-6-7-11(14-9-10)16(2)3/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide?
N-[6-(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-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60842943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).