tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate

C15H23ClN2O2 — CID 90379820

IUPACtert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate
SMILESCc1cnc(C(C)(C)CNC(=O)OC(C)(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10-7-11(16)12(17-8-10)15(5,6)9-18-13(19)20-14(2,3)4/h7-8H,9H2,1-6H3,(H,18,19)
InChIKeyQGACWVVBTCSYDG-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate

tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate (PubChem CID 90379820) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate
PubChem CID90379820
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate
SMILESCc1cnc(C(C)(C)CNC(=O)OC(C)(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10-7-11(16)12(17-8-10)15(5,6)9-18-13(19)20-14(2,3)4/h7-8H,9H2,1-6H3,(H,18,19)
InChIKeyQGACWVVBTCSYDG-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
CID 160665370
tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
CID 57032280
tert-butyl N-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate
CID 144897825
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
tert-butyl N-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884501
tert-butyl N-[3-(3,5-dimethyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831851
tert-butyl N-[4-(5-chloro-6-fluoro-3-pyridinyl)but-3-enyl]carbamate
CID 170490180
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[3-(2-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831836
tert-butyl N-[[5-chloro-4-(difluoromethoxy)-2-pyridinyl]methyl]carbamate
CID 137346829
tert-butyl N-[(2R)-1-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 52805538
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate (CID 90379820) is tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate is Cc1cnc(C(C)(C)CNC(=O)OC(C)(C)C)c(Cl)c1.
What is the InChIKey of tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate?
The InChIKey is QGACWVVBTCSYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10-7-11(16)12(17-8-10)15(5,6)9-18-13(19)20-14(2,3)4/h7-8H,9H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate?
tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate has a molecular weight of 298.81 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate is sourced from PubChem (CID 90379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).