N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C13H22F3N3O — CID 114489698

IUPACN-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCN(CCCN)C(=O)CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c1-18(7-2-6-17)12(20)5-10-19-8-3-11(4-9-19)13(14,15)16/h3H,2,4-10,17H2,1H3
InChIKeyDGIOEUPPZKYDTO-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.38
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 114489698) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID114489698
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCN(CCCN)C(=O)CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c1-18(7-2-6-17)12(20)5-10-19-8-3-11(4-9-19)13(14,15)16/h3H,2,4-10,17H2,1H3
InChIKeyDGIOEUPPZKYDTO-UHFFFAOYSA-N
XLogP1.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 115772182
N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
ethane;3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 144802145
ethane;4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 144802294
ethane;2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 155723155
3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103310457
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103514298
azetidin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104437943
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930308
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930312
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930315

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 114489698) is N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is CN(CCCN)C(=O)CCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is DGIOEUPPZKYDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-18(7-2-6-17)12(20)5-10-19-8-3-11(4-9-19)13(14,15)16/h3H,2,4-10,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 293.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 114489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).