N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C15H22FN3O — CID 105384727

IUPACN-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NC2CCCCCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-2-17-14-13(16)12(9-10-18-14)15(20)19-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyPIWYACPHTNMUIU-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.11
Rot. Bonds4

About N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105384727) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105384727
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NC2CCCCCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-2-17-14-13(16)12(9-10-18-14)15(20)19-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyPIWYACPHTNMUIU-UHFFFAOYSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105386978
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105384727) is N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)NC2CCCCCC2)c1F.
What is the InChIKey of N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is PIWYACPHTNMUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-17-14-13(16)12(9-10-18-14)15(20)19-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).