tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate

C18H21FN2O2 — CID 70663708

IUPACtert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
SMILESCc1cc(F)ccc1-c1ccncc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H21FN2O2/c1-12-10-13(19)6-7-14(12)15-8-9-20-11-16(15)21(5)17(22)23-18(2,3)4/h6-11H,1-5H3
InChIKeyTVVYLRUOOSFRGZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.57
Rot. Bonds2

About tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate

tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate (PubChem CID 70663708) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
PubChem CID70663708
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Nametert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
SMILESCc1cc(F)ccc1-c1ccncc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H21FN2O2/c1-12-10-13(19)6-7-14(12)15-8-9-20-11-16(15)21(5)17(22)23-18(2,3)4/h6-11H,1-5H3
InChIKeyTVVYLRUOOSFRGZ-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate 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-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
tert-butyl N-(5-fluoro-2-nitrophenyl)-N-methylcarbamate
CID 135346466
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide
CID 11534326
tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 69047258
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide
CID 70663576
tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate
CID 169373025
4-(3-fluoro-4-pyridinyl)-3-methylbenzoic acid
CID 104738752
3-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethoxy)benzamide
CID 70663308
tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
CID 140943973
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyridine-4-carboxamide
CID 70663397
N-[4-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 118012067
tert-butyl N-methyl-N-[6-pyridin-3-yl-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130471261

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate (CID 70663708) is tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate is Cc1cc(F)ccc1-c1ccncc1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
The InChIKey is TVVYLRUOOSFRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-10-13(19)6-7-14(12)15-8-9-20-11-16(15)21(5)17(22)23-18(2,3)4/h6-11H,1-5H3.
What are the key properties of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate has a molecular weight of 316.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 70663708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).