N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide

C17H28N6O — CID 110037519

IUPACN,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N6O/c1-4-8-19-17(20-14-16(24)21(2)3)23-12-10-22(11-13-23)15-7-5-6-9-18-15/h5-7,9H,4,8,10-14H2,1-3H3,(H,19,20)
InChIKeyWPQNYQFEKYFMJO-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.65
Rot. Bonds5

About N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide

N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide (PubChem CID 110037519) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide
PubChem CID110037519
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC NameN,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N6O/c1-4-8-19-17(20-14-16(24)21(2)3)23-12-10-22(11-13-23)15-7-5-6-9-18-15/h5-7,9H,4,8,10-14H2,1-3H3,(H,19,20)
InChIKeyWPQNYQFEKYFMJO-UHFFFAOYSA-N
XLogP0.65
TPSA64.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-methoxyethylamino)-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 111541262
2-[[(butan-2-ylamino)-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037524
2-[[(cyclopropylamino)-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119130990
N,N-dimethyl-2-[[(4-pyridin-2-ylpiperazin-1-yl)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 111221031
2-[[butylamino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111205227
2-[[(4-benzylpiperazin-1-yl)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111493284
2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111219921
N,N-dimethyl-2-[[[4-(2-phenoxyethyl)piperazin-1-yl]-(propylamino)methylidene]amino]acetamide
CID 110038095
2-[[[4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-1-yl]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043193
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110961763
2-[3-[[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111219773
N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221717

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide (CID 110037519) is N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
The InChIKey is WPQNYQFEKYFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-8-19-17(20-14-16(24)21(2)3)23-12-10-22(11-13-23)15-7-5-6-9-18-15/h5-7,9H,4,8,10-14H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide has a molecular weight of 332.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide is sourced from PubChem (CID 110037519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).