4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide

C12H16F3N3O — CID 91780515

IUPAC4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide
SMILESCc1cnccc1NCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-9-8-16-5-3-10(9)17-6-7-18-11(19)2-4-12(13,14)15/h3,5,8H,2,4,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyDPTNUAUMDGDECF-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.26
Rot. Bonds6

About 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide

4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide (PubChem CID 91780515) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide
PubChem CID91780515
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide
SMILESCc1cnccc1NCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-9-8-16-5-3-10(9)17-6-7-18-11(19)2-4-12(13,14)15/h3,5,8H,2,4,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyDPTNUAUMDGDECF-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Pyridin-4-ylacetamide
CID 21288
Medorinone
CID 5362132
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
6-amino-N-(pyridin-4-yl)hexanamide hydrochloride
CID 16745846
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
2-cyano-N-(pyridin-4-yl)acetamide
CID 2806410
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3117747
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 659564
3-amino-5-(3-methyl-4-pyridinyl)-1H-pyridin-2-one
CID 44303039
N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 78426670

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide (CID 91780515) is 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide is Cc1cnccc1NCCNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide?
The InChIKey is DPTNUAUMDGDECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-9-8-16-5-3-10(9)17-6-7-18-11(19)2-4-12(13,14)15/h3,5,8H,2,4,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide?
4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide has a molecular weight of 275.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]butanamide is sourced from PubChem (CID 91780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).