3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

C12H15F4N3O — CID 106295553

IUPAC3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C12H15F4N3O/c1-2-4-18-9-6-17-5-3-8(9)10(20)19-7-12(15,16)11(13)14/h3,5-6,11,18H,2,4,7H2,1H3,(H,19,20)
InChIKeyAQGBKGBPFGEMAR-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.53
Rot. Bonds7

About 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (PubChem CID 106295553) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
PubChem CID106295553
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC Name3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C12H15F4N3O/c1-2-4-18-9-6-17-5-3-8(9)10(20)19-7-12(15,16)11(13)14/h3,5-6,11,18H,2,4,7H2,1H3,(H,19,20)
InChIKeyAQGBKGBPFGEMAR-UHFFFAOYSA-N
XLogP2.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071089
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (CID 106295553) is 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The InChIKey is AQGBKGBPFGEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-2-4-18-9-6-17-5-3-8(9)10(20)19-7-12(15,16)11(13)14/h3,5-6,11,18H,2,4,7H2,1H3,(H,19,20).
What are the key properties of 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide has a molecular weight of 293.26 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 106295553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).