N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide

C19H28F3N3O3 — CID 56540548

IUPACN',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H28F3N3O3/c1-3-11-25(12-4-2)17(27)9-5-8-16(26)24-13-15-7-6-10-23-18(15)28-14-19(20,21)22/h6-7,10H,3-5,8-9,11-14H2,1-2H3,(H,24,26)
InChIKeyOWPBUBOQEOHSTH-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.46
Rot. Bonds12

About N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide

N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide (PubChem CID 56540548) has the molecular formula C19H28F3N3O3 and a molecular weight of 403.45 g/mol. Its IUPAC name is N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide.

Molecular Properties

Compound NameN',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
PubChem CID56540548
Molecular FormulaC19H28F3N3O3
Molecular Weight403.45 g/mol
Exact Mass403.21
IUPAC NameN',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H28F3N3O3/c1-3-11-25(12-4-2)17(27)9-5-8-16(26)24-13-15-7-6-10-23-18(15)28-14-19(20,21)22/h6-7,10H,3-5,8-9,11-14H2,1-2H3,(H,24,26)
InChIKeyOWPBUBOQEOHSTH-UHFFFAOYSA-N
XLogP3.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 46447585
2-ethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]benzamide
CID 46424285
ethyl 4-[N'-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163542
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 46447470
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37297652
2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 55632694
3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55638530
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552

Frequently Asked Questions

What is the IUPAC name of N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide?
The IUPAC name of N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide (CID 56540548) is N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide.
What is the SMILES notation for N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide?
The canonical SMILES for N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide?
The InChIKey is OWPBUBOQEOHSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O3/c1-3-11-25(12-4-2)17(27)9-5-8-16(26)24-13-15-7-6-10-23-18(15)28-14-19(20,21)22/h6-7,10H,3-5,8-9,11-14H2,1-2H3,(H,24,26).
What are the key properties of N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide?
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide has a molecular weight of 403.45 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide is sourced from PubChem (CID 56540548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).