methyl N-(4-propan-2-yl-2-pyridinyl)carbamate

C10H14N2O2 — CID 168928521

IUPACmethyl N-(4-propan-2-yl-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(C(C)C)ccn1
InChIInChI=1S/C10H14N2O2/c1-7(2)8-4-5-11-9(6-8)12-10(13)14-3/h4-7H,1-3H3,(H,11,12,13)
InChIKeyTTZZMDXMNJLGHQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.38
Rot. Bonds2

About methyl N-(4-propan-2-yl-2-pyridinyl)carbamate

methyl N-(4-propan-2-yl-2-pyridinyl)carbamate (PubChem CID 168928521) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl N-(4-propan-2-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-propan-2-yl-2-pyridinyl)carbamate
PubChem CID168928521
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl N-(4-propan-2-yl-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(C(C)C)ccn1
InChIInChI=1S/C10H14N2O2/c1-7(2)8-4-5-11-9(6-8)12-10(13)14-3/h4-7H,1-3H3,(H,11,12,13)
InChIKeyTTZZMDXMNJLGHQ-UHFFFAOYSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 75393221
methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate
CID 10331339
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
tert-butyl N-[4-(1-bromo-2-oxo-2-phenylethyl)-2-pyridinyl]carbamate;hydrobromide
CID 11712544
tert-butyl N-[4-[(1R)-1-bromo-2-(3,5-dimethylphenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 99646792
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 130369699
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-propan-2-yl-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(4-propan-2-yl-2-pyridinyl)carbamate (CID 168928521) is methyl N-(4-propan-2-yl-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(4-propan-2-yl-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(4-propan-2-yl-2-pyridinyl)carbamate is COC(=O)Nc1cc(C(C)C)ccn1.
What is the InChIKey of methyl N-(4-propan-2-yl-2-pyridinyl)carbamate?
The InChIKey is TTZZMDXMNJLGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)8-4-5-11-9(6-8)12-10(13)14-3/h4-7H,1-3H3,(H,11,12,13).
What are the key properties of methyl N-(4-propan-2-yl-2-pyridinyl)carbamate?
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate has a molecular weight of 194.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-propan-2-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 168928521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).