tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate

C17H23N3O3 — CID 122658808

IUPACtert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESC#Cc1nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)ccc1C
InChIInChI=1S/C17H23N3O3/c1-8-13-11(2)9-10-14(18-13)19-15(21)12(3)20(7)16(22)23-17(4,5)6/h1,9-10,12H,2-7H3,(H,18,19,21)
InChIKeyUDBVYSIODFZFEB-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 122658808) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID122658808
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESC#Cc1nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)ccc1C
InChIInChI=1S/C17H23N3O3/c1-8-13-11(2)9-10-14(18-13)19-15(21)12(3)20(7)16(22)23-17(4,5)6/h1,9-10,12H,2-7H3,(H,18,19,21)
InChIKeyUDBVYSIODFZFEB-UHFFFAOYSA-N
XLogP2.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-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-[(2S)-1-[[5-bromo-6-(2-phenylethynyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 129408367
tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 118863009
tert-butyl N-[1-[[4-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-6-ethynyl-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;methane;molecular hydrogen
CID 144792728
tert-butyl N-[1-[[5-(2-imino-4-oxopentan-3-yl)-6-(2-isoquinolin-6-ylethynyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 123162502
tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate
CID 90051746
tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
CID 140700963
tert-butyl N-[1-[[5-chloro-4-(1-methylindazol-7-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 123195869
tert-butyl N-methyl-N-[1-[[6-[2-(1-methylisoquinolin-6-yl)ethynyl]-5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
CID 118863006
tert-butyl N-[1-[[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 123495951
tert-butyl N-[1-[[4-(5-fluoro-3-pyridinyl)-6-(2-phenylethynyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;molecular hydrogen
CID 144792717
tert-butyl N-methyl-N-[(2S)-1-oxo-1-[3-[[4-(propylamino)-2-(pyridin-4-ylcarbamoylamino)pyrimidine-5-carbonyl]amino]anilino]propan-2-yl]carbamate
CID 90052585
tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate
CID 102569860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 122658808) is tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate is C#Cc1nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)ccc1C.
What is the InChIKey of tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is UDBVYSIODFZFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-8-13-11(2)9-10-14(18-13)19-15(21)12(3)20(7)16(22)23-17(4,5)6/h1,9-10,12H,2-7H3,(H,18,19,21).
What are the key properties of tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 317.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-ethynyl-5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 122658808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).