2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine

C15H15F4N3 — CID 133388022

IUPAC2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine
SMILESCc1cccnc1C(Nc1c(F)c(F)nc(F)c1F)C(C)C
InChIInChI=1S/C15H15F4N3/c1-7(2)11(12-8(3)5-4-6-20-12)21-13-9(16)14(18)22-15(19)10(13)17/h4-7,11H,1-3H3,(H,21,22)
InChIKeyBYCNWVYXQSQDBA-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.15
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine (PubChem CID 133388022) has the molecular formula C15H15F4N3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine
PubChem CID133388022
Molecular FormulaC15H15F4N3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine
SMILESCc1cccnc1C(Nc1c(F)c(F)nc(F)c1F)C(C)C
InChIInChI=1S/C15H15F4N3/c1-7(2)11(12-8(3)5-4-6-20-12)21-13-9(16)14(18)22-15(19)10(13)17/h4-7,11H,1-3H3,(H,21,22)
InChIKeyBYCNWVYXQSQDBA-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine with MolForge

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Related Compounds

2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine
CID 155764999
1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol
CID 111462126
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 97232104
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 86954423
9-methyl-2-[[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97007871
N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
CID 122154387
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine (CID 133388022) is 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine is Cc1cccnc1C(Nc1c(F)c(F)nc(F)c1F)C(C)C.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine?
The InChIKey is BYCNWVYXQSQDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3/c1-7(2)11(12-8(3)5-4-6-20-12)21-13-9(16)14(18)22-15(19)10(13)17/h4-7,11H,1-3H3,(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine has a molecular weight of 313.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine is sourced from PubChem (CID 133388022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).