2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide

C19H26N4O — CID 119131326

IUPAC2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H26N4O/c1-22(2)18(24)14-20-19(21-17-8-9-17)23-12-10-16(11-13-23)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-14H2,1-2H3,(H,20,21)
InChIKeyYQGMIAKZVMOMAN-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.97
Rot. Bonds4

About 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 119131326) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide
PubChem CID119131326
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CC1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H26N4O/c1-22(2)18(24)14-20-19(21-17-8-9-17)23-12-10-16(11-13-23)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-14H2,1-2H3,(H,20,21)
InChIKeyYQGMIAKZVMOMAN-UHFFFAOYSA-N
XLogP1.97
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119116488
N-ethyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263362
2-[[(cyclopropylamino)-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119130990
N-cyclohexyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131285
N-(cyclopropylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759239
N-tert-butyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263370
2-[[[4-(4-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049519
2-[[(cyclopentylamino)-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110037277
1-[3-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111263942
2-[[(4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047263
N-methyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131233
2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037414

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide (CID 119131326) is 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/NC1CC1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is YQGMIAKZVMOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22(2)18(24)14-20-19(21-17-8-9-17)23-12-10-16(11-13-23)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 326.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopropylamino)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 119131326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).