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

C12H20F3N3O — CID 114489689

IUPACN-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCN(CCCN)C(=O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c1-17(6-2-5-16)11(19)9-18-7-3-10(4-8-18)12(13,14)15/h3H,2,4-9,16H2,1H3
InChIKeyNKFDPONIIICYDM-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.99
Rot. Bonds5

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

N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 114489689) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID114489689
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCN(CCCN)C(=O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c1-17(6-2-5-16)11(19)9-18-7-3-10(4-8-18)12(13,14)15/h3H,2,4-9,16H2,1H3
InChIKeyNKFDPONIIICYDM-UHFFFAOYSA-N
XLogP0.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.99
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

N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 126769313
N-methyl-2-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
CID 126772187
2-[[(Z)-1,1,1-trifluoro-2,3-dimethylhex-3-en-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 169613634
N-[1-(1-{2-[(aminocarbonyl)amino]ethyl}-1,2,5,6-tetrahydropyridin-3-yl)-2,2,2-trifluoroethyl]acetamide
CID 50953572
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103514298
(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-3-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]butanamide
CID 104930314
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930315
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930321
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 106313666

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 114489689) is N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CN(CCCN)C(=O)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is NKFDPONIIICYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-17(6-2-5-16)11(19)9-18-7-3-10(4-8-18)12(13,14)15/h3H,2,4-9,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-(3-aminopropyl)-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 279.31 g/mol, XLogP of 0.99, 5 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-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 114489689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).