2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

C12H13F4N3O — CID 106218206

IUPAC2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCCNc1ncc(F)cc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H13F4N3O/c1-2-17-9-8(5-7(13)6-18-9)10(20)19-11(3-4-11)12(14,15)16/h5-6H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeySPUKITVVCGRKKD-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.48
Rot. Bonds4

About 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 106218206) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID106218206
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC Name2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCCNc1ncc(F)cc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H13F4N3O/c1-2-17-9-8(5-7(13)6-18-9)10(20)19-11(3-4-11)12(14,15)16/h5-6H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeySPUKITVVCGRKKD-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218176
2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 114035087
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 114035108
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218163
5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
CID 114034997
5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217981
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 70935267
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide (CID 106218206) is 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide is CCNc1ncc(F)cc1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is SPUKITVVCGRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O/c1-2-17-9-8(5-7(13)6-18-9)10(20)19-11(3-4-11)12(14,15)16/h5-6H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 291.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 106218206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).