tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate

C14H21FN2O2 — CID 177040114

IUPACtert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
SMILESCc1ccnc(F)c1CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21FN2O2/c1-9-6-7-16-12(15)11(9)8-10(2)17-13(18)19-14(3,4)5/h6-7,10H,8H2,1-5H3,(H,17,18)
InChIKeyXTTJFFJMDKBWNB-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate

tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate (PubChem CID 177040114) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
PubChem CID177040114
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nametert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
SMILESCc1ccnc(F)c1CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21FN2O2/c1-9-6-7-16-12(15)11(9)8-10(2)17-13(18)19-14(3,4)5/h6-7,10H,8H2,1-5H3,(H,17,18)
InChIKeyXTTJFFJMDKBWNB-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[1-(3-amino-4-fluorophenyl)propan-2-yl]carbamate
CID 84712221
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[4-[(4-methyl-3-pyridinyl)methylamino]butan-2-yl]carbamate
CID 107247056
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate
CID 146165264
tert-butyl (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]propanoate
CID 107470506
tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate
CID 169013132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate (CID 177040114) is tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate is Cc1ccnc(F)c1CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate?
The InChIKey is XTTJFFJMDKBWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9-6-7-16-12(15)11(9)8-10(2)17-13(18)19-14(3,4)5/h6-7,10H,8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate has a molecular weight of 268.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate is sourced from PubChem (CID 177040114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).