4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

C14H20F3N3O — CID 115522163

IUPAC4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-3-18-12-8-10(2)20-9-11(12)13(21)19-7-5-4-6-14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQWKXGJNAEBLABT-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.28
Rot. Bonds7

About 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (PubChem CID 115522163) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
PubChem CID115522163
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-3-18-12-8-10(2)20-9-11(12)13(21)19-7-5-4-6-14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyQWKXGJNAEBLABT-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.28
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

4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83114995
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
4-(ethylamino)-6-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104765505
4-(ethylamino)-6-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 81240303
4-hydrazinyl-6-methyl-N-pentylpyridine-3-carboxamide
CID 81255877
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 106280158
4-(ethylamino)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81241331
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135
4-(ethylamino)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 81237438
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (CID 115522163) is 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The InChIKey is QWKXGJNAEBLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-18-12-8-10(2)20-9-11(12)13(21)19-7-5-4-6-14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is sourced from PubChem (CID 115522163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).