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

C22H37N7O2 — CID 110036143

IUPACN,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCN1CCOCC1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C22H37N7O2/c1-27(2)21(30)18-26-22(24-9-12-28-13-15-31-16-14-28)25-17-19-5-10-29(11-6-19)20-3-7-23-8-4-20/h3-4,7-8,19H,5-6,9-18H2,1-2H3,(H2,24,25,26)
InChIKeyQTBKLUHORSEAQC-UHFFFAOYSA-N
MW431.59 g/mol
LogP0.25
Rot. Bonds8

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

N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide (PubChem CID 110036143) has the molecular formula C22H37N7O2 and a molecular weight of 431.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
PubChem CID110036143
Molecular FormulaC22H37N7O2
Molecular Weight431.59 g/mol
Exact Mass431.30
IUPAC NameN,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCN1CCOCC1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C22H37N7O2/c1-27(2)21(30)18-26-22(24-9-12-28-13-15-31-16-14-28)25-17-19-5-10-29(11-6-19)20-3-7-23-8-4-20/h3-4,7-8,19H,5-6,9-18H2,1-2H3,(H2,24,25,26)
InChIKeyQTBKLUHORSEAQC-UHFFFAOYSA-N
XLogP0.25
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110033689
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035653
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111777635
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110052376
2-[[(3-butoxypropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769876
2-[[[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045280
2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033827
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040373
2-[[[2-(cyclohexen-1-yl)ethylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769606

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide (CID 110036143) is N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCN1CCOCC1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
The InChIKey is QTBKLUHORSEAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N7O2/c1-27(2)21(30)18-26-22(24-9-12-28-13-15-31-16-14-28)25-17-19-5-10-29(11-6-19)20-3-7-23-8-4-20/h3-4,7-8,19H,5-6,9-18H2,1-2H3,(H2,24,25,26).
What are the key properties of N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide has a molecular weight of 431.59 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 110036143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).