N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C15H22FN3O — CID 105384908

IUPACN-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CC)C2CCCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-3-17-14-13(16)12(9-10-18-14)15(20)19(4-2)11-7-5-6-8-11/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyFAOCBJFKJMLBAN-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.06
Rot. Bonds5

About N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105384908) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105384908
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CC)C2CCCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-3-17-14-13(16)12(9-10-18-14)15(20)19(4-2)11-7-5-6-8-11/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyFAOCBJFKJMLBAN-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385444
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105384908) is N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)N(CC)C2CCCC2)c1F.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is FAOCBJFKJMLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-17-14-13(16)12(9-10-18-14)15(20)19(4-2)11-7-5-6-8-11/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).