tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate

C14H21N3O3 — CID 54302318

IUPACtert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
SMILESCN(C)c1ccc(C(=O)CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-9-11(18)10-6-7-12(15-8-10)17(4)5/h6-8H,9H2,1-5H3,(H,16,19)
InChIKeySFCLUVQRIDGMPM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds4

About tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate

tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate (PubChem CID 54302318) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
PubChem CID54302318
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
SMILESCN(C)c1ccc(C(=O)CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-9-11(18)10-6-7-12(15-8-10)17(4)5/h6-8H,9H2,1-5H3,(H,16,19)
InChIKeySFCLUVQRIDGMPM-UHFFFAOYSA-N
XLogP1.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
tert-butyl N-[3-[6-(dimethylamino)-3-pyridinyl]-2,3-dihydroxypropyl]carbamate
CID 170832092
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
CID 165467941
tert-butyl N-cyclopropyl-N-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102541114
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539098
tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
CID 102539652
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
CID 154575082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate (CID 54302318) is tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate is CN(C)c1ccc(C(=O)CNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate?
The InChIKey is SFCLUVQRIDGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-9-11(18)10-6-7-12(15-8-10)17(4)5/h6-8H,9H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate is sourced from PubChem (CID 54302318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).