tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate

C14H21ClN4O3 — CID 169195889

IUPACtert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC(=O)c1cncc(Cl)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN4O3/c1-13(2,3)22-12(21)19-14(4,5)8-17-11(20)9-6-16-7-10(15)18-9/h6-7H,8H2,1-5H3,(H,17,20)(H,19,21)
InChIKeyBKZXNRBLJABJHX-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 169195889) has the molecular formula C14H21ClN4O3 and a molecular weight of 328.80 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID169195889
Molecular FormulaC14H21ClN4O3
Molecular Weight328.80 g/mol
Exact Mass328.13
IUPAC Nametert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC(=O)c1cncc(Cl)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN4O3/c1-13(2,3)22-12(21)19-14(4,5)8-17-11(20)9-6-16-7-10(15)18-9/h6-7H,8H2,1-5H3,(H,17,20)(H,19,21)
InChIKeyBKZXNRBLJABJHX-UHFFFAOYSA-N
XLogP2.16
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]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 (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
CID 114035170
tert-butyl N-[1-[(3,4-difluorobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668981
tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
CID 71986091
tert-butyl N-[2-methyl-1-[[6-[3,6,6-trimethyl-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indol-2-yl]pyrazine-2-carbonyl]amino]propan-2-yl]carbamate
CID 176884964

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate (CID 169195889) is tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate is CC(C)(CNC(=O)c1cncc(Cl)n1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is BKZXNRBLJABJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O3/c1-13(2,3)22-12(21)19-14(4,5)8-17-11(20)9-6-16-7-10(15)18-9/h6-7H,8H2,1-5H3,(H,17,20)(H,19,21).
What are the key properties of tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 328.80 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 169195889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).