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

C24H34N6O — CID 110033689

IUPACN,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H34N6O/c1-29(2)23(31)19-28-24(26-15-8-20-6-4-3-5-7-20)27-18-21-11-16-30(17-12-21)22-9-13-25-14-10-22/h3-7,9-10,13-14,21H,8,11-12,15-19H2,1-2H3,(H2,26,27,28)
InChIKeyVELYRKOWYCANJD-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.16
Rot. Bonds8

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

N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide (PubChem CID 110033689) 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-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
PubChem CID110033689
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H34N6O/c1-29(2)23(31)19-28-24(26-15-8-20-6-4-3-5-7-20)27-18-21-11-16-30(17-12-21)22-9-13-25-14-10-22/h3-7,9-10,13-14,21H,8,11-12,15-19H2,1-2H3,(H2,26,27,28)
InChIKeyVELYRKOWYCANJD-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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

N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110036143
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035653
2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364964
2-[[[3-(cyclopropylmethoxy)propylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751652
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
2-[[(3-fluoropropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033419
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038895
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
2-[[(2-ethoxyethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751604
2-[[[2-(furan-2-yl)ethylamino]-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110061274

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide (CID 110033689) is N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
The InChIKey is VELYRKOWYCANJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-29(2)23(31)19-28-24(26-15-8-20-6-4-3-5-7-20)27-18-21-11-16-30(17-12-21)22-9-13-25-14-10-22/h3-7,9-10,13-14,21H,8,11-12,15-19H2,1-2H3,(H2,26,27,28).
What are the key properties of N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide has a molecular weight of 422.58 g/mol, XLogP of 2.16, 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-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 110033689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).