N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide

C16H28N4O — CID 80632298

IUPACN,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
SMILESCCCNCc1ccc(N(CCC)CC(=O)N(C)C)nc1
InChIInChI=1S/C16H28N4O/c1-5-9-17-11-14-7-8-15(18-12-14)20(10-6-2)13-16(21)19(3)4/h7-8,12,17H,5-6,9-11,13H2,1-4H3
InChIKeyDGNTXXAYGPYKMP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.89
Rot. Bonds9

About N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide

N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide (PubChem CID 80632298) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
PubChem CID80632298
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
SMILESCCCNCc1ccc(N(CCC)CC(=O)N(C)C)nc1
InChIInChI=1S/C16H28N4O/c1-5-9-17-11-14-7-8-15(18-12-14)20(10-6-2)13-16(21)19(3)4/h7-8,12,17H,5-6,9-11,13H2,1-4H3
InChIKeyDGNTXXAYGPYKMP-UHFFFAOYSA-N
XLogP1.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 80630363
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide (CID 80632298) is N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide is CCCNCc1ccc(N(CCC)CC(=O)N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
The InChIKey is DGNTXXAYGPYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-9-17-11-14-7-8-15(18-12-14)20(10-6-2)13-16(21)19(3)4/h7-8,12,17H,5-6,9-11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide?
N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 80632298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).