tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate

C20H25FN2O2 — CID 71256566

IUPACtert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1cc(-c2cccc(F)c2)ccn1
InChIInChI=1S/C20H25FN2O2/c1-6-14(2)23(19(24)25-20(3,4)5)18-13-16(10-11-22-18)15-8-7-9-17(21)12-15/h7-14H,6H2,1-5H3
InChIKeyWLAPKCIPGSIVEM-UHFFFAOYSA-N
MW344.43 g/mol
LogP5.43
Rot. Bonds4

About tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate

tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate (PubChem CID 71256566) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
PubChem CID71256566
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Nametert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1cc(-c2cccc(F)c2)ccn1
InChIInChI=1S/C20H25FN2O2/c1-6-14(2)23(19(24)25-20(3,4)5)18-13-16(10-11-22-18)15-8-7-9-17(21)12-15/h7-14H,6H2,1-5H3
InChIKeyWLAPKCIPGSIVEM-UHFFFAOYSA-N
XLogP5.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
(2S)-2-[[4-(2-methylphenyl)-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 68740222
2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 24820151
tert-butyl N-[4-[(E)-C-(4-fluorobenzoyl)-N-hydroxycarbonimidoyl]-2-pyridinyl]-N-(3-methylbutan-2-yl)carbamate
CID 135620554
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
CID 23450228
tert-butyl 3-(3-fluorophenyl)-5-hydroxybenzoate
CID 67339884
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651
tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate
CID 87687103
tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 126563638
tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58402559
tert-butyl N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
CID 69413795
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate (CID 71256566) is tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate is CCC(C)N(C(=O)OC(C)(C)C)c1cc(-c2cccc(F)c2)ccn1.
What is the InChIKey of tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
The InChIKey is WLAPKCIPGSIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-6-14(2)23(19(24)25-20(3,4)5)18-13-16(10-11-22-18)15-8-7-9-17(21)12-15/h7-14H,6H2,1-5H3.
What are the key properties of tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate has a molecular weight of 344.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 71256566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).