tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate

C16H20N4O3 — CID 170269703

IUPACtert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate
SMILESCn1cc(-c2cnc(CNC(=O)OC(C)(C)C)cn2)ccc1=O
InChIInChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)19-8-12-7-18-13(9-17-12)11-5-6-14(21)20(4)10-11/h5-7,9-10H,8H2,1-4H3,(H,19,22)
InChIKeyPKSPUGSHZFOASL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate

tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate (PubChem CID 170269703) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate
PubChem CID170269703
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nametert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate
SMILESCn1cc(-c2cnc(CNC(=O)OC(C)(C)C)cn2)ccc1=O
InChIInChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)19-8-12-7-18-13(9-17-12)11-5-6-14(21)20(4)10-11/h5-7,9-10H,8H2,1-4H3,(H,19,22)
InChIKeyPKSPUGSHZFOASL-UHFFFAOYSA-N
XLogP1.87
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]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-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
CID 166103677
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]carbamate
CID 134192426
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate
CID 177357457
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719888
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
CID 122483314

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate (CID 170269703) is tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate is Cn1cc(-c2cnc(CNC(=O)OC(C)(C)C)cn2)ccc1=O.
What is the InChIKey of tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate?
The InChIKey is PKSPUGSHZFOASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)19-8-12-7-18-13(9-17-12)11-5-6-14(21)20(4)10-11/h5-7,9-10H,8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate?
tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]carbamate is sourced from PubChem (CID 170269703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).