ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate

C13H18FN3O2 — CID 171616414

IUPACethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(N)c(NCC2(CF)CC2)n1
InChIInChI=1S/C13H18FN3O2/c1-2-19-12(18)10-4-3-9(15)11(17-10)16-8-13(7-14)5-6-13/h3-4H,2,5-8,15H2,1H3,(H,16,17)
InChIKeyIBGSJRHIXQHODK-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.00
Rot. Bonds6

About ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate

ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate (PubChem CID 171616414) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate
PubChem CID171616414
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Nameethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(N)c(NCC2(CF)CC2)n1
InChIInChI=1S/C13H18FN3O2/c1-2-19-12(18)10-4-3-9(15)11(17-10)16-8-13(7-14)5-6-13/h3-4H,2,5-8,15H2,1H3,(H,16,17)
InChIKeyIBGSJRHIXQHODK-UHFFFAOYSA-N
XLogP2.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide
CID 114117491
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 106014430
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
CID 107420380
tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
CID 155190731
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate (CID 171616414) is ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate is CCOC(=O)c1ccc(N)c(NCC2(CF)CC2)n1.
What is the InChIKey of ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate?
The InChIKey is IBGSJRHIXQHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-19-12(18)10-4-3-9(15)11(17-10)16-8-13(7-14)5-6-13/h3-4H,2,5-8,15H2,1H3,(H,16,17).
What are the key properties of ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate?
ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 171616414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).