N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide

C15H19F2N3O3 — CID 167886364

IUPACN-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NCc1cccnc1OCC(F)F
InChIInChI=1S/C15H19F2N3O3/c1-3-14(22)20(4-2)9-13(21)19-8-11-6-5-7-18-15(11)23-10-12(16)17/h3,5-7,12H,1,4,8-10H2,2H3,(H,19,21)
InChIKeyOBLDYKPDNRLUQC-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.38
Rot. Bonds9

About N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide

N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 167886364) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
PubChem CID167886364
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC NameN-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NCc1cccnc1OCC(F)F
InChIInChI=1S/C15H19F2N3O3/c1-3-14(22)20(4-2)9-13(21)19-8-11-6-5-7-18-15(11)23-10-12(16)17/h3,5-7,12H,1,4,8-10H2,2H3,(H,19,21)
InChIKeyOBLDYKPDNRLUQC-UHFFFAOYSA-N
XLogP1.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
CID 120705557
1-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 100690740
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 37487153
N-[2-[(7-chloro-1-methylbenzimidazol-2-yl)methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407679
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
CID 56540548
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
CID 75436410
ethyl 4-[N'-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163542
ethyl 4-[N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163672
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide (CID 167886364) is N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(=O)NCc1cccnc1OCC(F)F.
What is the InChIKey of N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
The InChIKey is OBLDYKPDNRLUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3/c1-3-14(22)20(4-2)9-13(21)19-8-11-6-5-7-18-15(11)23-10-12(16)17/h3,5-7,12H,1,4,8-10H2,2H3,(H,19,21).
What are the key properties of N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 327.33 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 167886364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).