2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide

C18H28F2N4O2 — CID 126755698

IUPAC2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
SMILESC=C(OCC(F)F)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
InChIInChI=1S/C18H28F2N4O2/c1-5-24(9-8-23(3)4)18(25)12-21-11-16-10-15(6-7-22-16)14(2)26-13-17(19)20/h6-7,10,17,21H,2,5,8-9,11-13H2,1,3-4H3
InChIKeySFSXKVPNWPPTAS-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.83
Rot. Bonds12

About 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide

2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide (PubChem CID 126755698) has the molecular formula C18H28F2N4O2 and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
PubChem CID126755698
Molecular FormulaC18H28F2N4O2
Molecular Weight370.44 g/mol
Exact Mass370.22
IUPAC Name2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
SMILESC=C(OCC(F)F)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
InChIInChI=1S/C18H28F2N4O2/c1-5-24(9-8-23(3)4)18(25)12-21-11-16-10-15(6-7-22-16)14(2)26-13-17(19)20/h6-7,10,17,21H,2,5,8-9,11-13H2,1,3-4H3
InChIKeySFSXKVPNWPPTAS-UHFFFAOYSA-N
XLogP1.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
CID 146374976
2-[[[2-[2-[butyl(methyl)amino]ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylic acid
CID 177383169
N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
CID 146374973
[1-oxo-1-propan-2-yloxy-5-[(2,2,2-trifluoroacetyl)amino]pentan-3-yl] 2-[[2-[2-(dimethylamino)ethyl-ethylamino]prop-2-enylamino]methyl]pyridine-4-carboxylate
CID 144600137
2-[[[1-[2-(dimethylamino)ethyl-ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]amino]methyl]pyridine-4-carboxylic acid
CID 121346770
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
CID 144690114
2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide
CID 126755551
ethyl 2-[[[4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]methyl]pyridine-4-carboxylate
CID 90375071
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325323
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The IUPAC name of 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide (CID 126755698) is 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The canonical SMILES for 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide is C=C(OCC(F)F)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1.
What is the InChIKey of 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The InChIKey is SFSXKVPNWPPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N4O2/c1-5-24(9-8-23(3)4)18(25)12-21-11-16-10-15(6-7-22-16)14(2)26-13-17(19)20/h6-7,10,17,21H,2,5,8-9,11-13H2,1,3-4H3.
What are the key properties of 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide has a molecular weight of 370.44 g/mol, XLogP of 1.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide is sourced from PubChem (CID 126755698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).