N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide

C24H34N6O — CID 110039297

IUPACN,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H34N6O/c1-29(2)23(31)18-27-24(26-15-11-20-8-4-3-5-9-20)28-21-12-16-30(17-13-21)19-22-10-6-7-14-25-22/h3-10,14,21H,11-13,15-19H2,1-2H3,(H2,26,27,28)
InChIKeyCVDSWNOQRVRKKD-UHFFFAOYSA-N
MW422.58 g/mol
LogP1.91
Rot. Bonds8

About N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide (PubChem CID 110039297) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
PubChem CID110039297
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H34N6O/c1-29(2)23(31)18-27-24(26-15-11-20-8-4-3-5-9-20)28-21-12-16-30(17-13-21)19-22-10-6-7-14-25-22/h3-10,14,21H,11-13,15-19H2,1-2H3,(H2,26,27,28)
InChIKeyCVDSWNOQRVRKKD-UHFFFAOYSA-N
XLogP1.91
TPSA72.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-[[(3-ethoxypropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039314
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110039282
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(4-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111229560
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
CID 110039319
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038895
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364088
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(2,6-dimethylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110048162
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354056
2-[[[(1-benzylpiperidin-4-yl)amino]-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365778
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110048919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide (CID 110039297) is N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCc1ccccc1)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide?
The InChIKey is CVDSWNOQRVRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-29(2)23(31)18-27-24(26-15-11-20-8-4-3-5-9-20)28-21-12-16-30(17-13-21)19-22-10-6-7-14-25-22/h3-10,14,21H,11-13,15-19H2,1-2H3,(H2,26,27,28).
What are the key properties of N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide has a molecular weight of 422.58 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-phenylethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide is sourced from PubChem (CID 110039297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).