tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate

C15H21FN2O3 — CID 145244558

IUPACtert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1nc(C(C)=O)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-6-11(18-14(20)21-15(3,4)5)13-10(16)7-8-12(17-13)9(2)19/h7-8,11H,6H2,1-5H3,(H,18,20)
InChIKeyMIAJQBZOMSHMCZ-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate

tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate (PubChem CID 145244558) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate
PubChem CID145244558
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1nc(C(C)=O)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-6-11(18-14(20)21-15(3,4)5)13-10(16)7-8-12(17-13)9(2)19/h7-8,11H,6H2,1-5H3,(H,18,20)
InChIKeyMIAJQBZOMSHMCZ-UHFFFAOYSA-N
XLogP3.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodopropan-2-yl N-[1-(3-fluoro-6-formyl-2-pyridinyl)propyl]carbamate
CID 126565393
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[(1S)-1-(2-bromo-4-chlorophenyl)propyl]carbamate
CID 162342831
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[(1R)-1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]carbamate
CID 69109171
tert-butyl N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]carbamate
CID 125041772
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
CID 134857276
(3R)-3-(2,6-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7015491
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate (CID 145244558) is tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)c1nc(C(C)=O)ccc1F.
What is the InChIKey of tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate?
The InChIKey is MIAJQBZOMSHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-6-11(18-14(20)21-15(3,4)5)13-10(16)7-8-12(17-13)9(2)19/h7-8,11H,6H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate?
tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate has a molecular weight of 296.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate is sourced from PubChem (CID 145244558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).