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

C15H24N4O4 — CID 69134840

IUPACtert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)nc1N
InChIInChI=1S/C15H24N4O4/c1-14(2,3)23-13(21)19-15(4,5)12(20)18-10-8-7-9(22-6)11(16)17-10/h7-8H,1-6H3,(H,19,21)(H3,16,17,18,20)
InChIKeyVVFKTKGQYIGGDT-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.91
Rot. Bonds4

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

tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 69134840) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID69134840
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)nc1N
InChIInChI=1S/C15H24N4O4/c1-14(2,3)23-13(21)19-15(4,5)12(20)18-10-8-7-9(22-6)11(16)17-10/h7-8H,1-6H3,(H,19,21)(H3,16,17,18,20)
InChIKeyVVFKTKGQYIGGDT-UHFFFAOYSA-N
XLogP1.91
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 69134840) is tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate is COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)nc1N.
What is the InChIKey of tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is VVFKTKGQYIGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-14(2,3)23-13(21)19-15(4,5)12(20)18-10-8-7-9(22-6)11(16)17-10/h7-8H,1-6H3,(H,19,21)(H3,16,17,18,20).
What are the key properties of tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-amino-5-methoxy-2-pyridinyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 69134840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).