tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate

C20H25ClN2O3 — CID 167156948

IUPACtert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(O)C(C)(C)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H25ClN2O3/c1-19(2,3)26-18(25)23-15-10-11-16(22-12-15)17(24)20(4,5)13-6-8-14(21)9-7-13/h6-12,17,24H,1-5H3,(H,23,25)
InChIKeyCWPYONVEMKDZIA-UHFFFAOYSA-N
MW376.88 g/mol
LogP5.09
Rot. Bonds4

About tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate

tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate (PubChem CID 167156948) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
PubChem CID167156948
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Nametert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(O)C(C)(C)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H25ClN2O3/c1-19(2,3)26-18(25)23-15-10-11-16(22-12-15)17(24)20(4,5)13-6-8-14(21)9-7-13/h6-12,17,24H,1-5H3,(H,23,25)
InChIKeyCWPYONVEMKDZIA-UHFFFAOYSA-N
XLogP5.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.88
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]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-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
CID 164562639
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate (CID 167156948) is tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(O)C(C)(C)c2ccc(Cl)cc2)nc1.
What is the InChIKey of tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
The InChIKey is CWPYONVEMKDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-19(2,3)26-18(25)23-15-10-11-16(22-12-15)17(24)20(4,5)13-6-8-14(21)9-7-13/h6-12,17,24H,1-5H3,(H,23,25).
What are the key properties of tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate has a molecular weight of 376.88 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 167156948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).