2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

C15H23FN4O — CID 105386164

IUPAC2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCN2CCCC2)c1F
InChIInChI=1S/C15H23FN4O/c1-2-17-14-13(16)12(6-8-18-14)15(21)19-7-5-11-20-9-3-4-10-20/h6,8H,2-5,7,9-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyKLBPUFQEMNQMMP-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.87
Rot. Bonds7

About 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 105386164) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID105386164
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCN2CCCC2)c1F
InChIInChI=1S/C15H23FN4O/c1-2-17-14-13(16)12(6-8-18-14)15(21)19-7-5-11-20-9-3-4-10-20/h6,8H,2-5,7,9-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyKLBPUFQEMNQMMP-UHFFFAOYSA-N
XLogP1.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105386972
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 105386164) is 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is CCNc1nccc(C(=O)NCCCN2CCCC2)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is KLBPUFQEMNQMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-2-17-14-13(16)12(6-8-18-14)15(21)19-7-5-11-20-9-3-4-10-20/h6,8H,2-5,7,9-11H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105386164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).