tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate

C16H27N3O4 — CID 171884816

IUPACtert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
SMILESCc1cc(N)nc(C)c1C(O)C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O4/c1-9-8-12(17)19-10(2)13(9)14(21)11(20)6-7-18-15(22)23-16(3,4)5/h8,11,14,20-21H,6-7H2,1-5H3,(H2,17,19)(H,18,22)
InChIKeyPEOOPLAVSXYPOM-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.59
Rot. Bonds5

About tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate

tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171884816) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171884816
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
SMILESCc1cc(N)nc(C)c1C(O)C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O4/c1-9-8-12(17)19-10(2)13(9)14(21)11(20)6-7-18-15(22)23-16(3,4)5/h8,11,14,20-21H,6-7H2,1-5H3,(H2,17,19)(H,18,22)
InChIKeyPEOOPLAVSXYPOM-UHFFFAOYSA-N
XLogP1.59
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]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-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884674
tert-butyl N-[4-(3,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884388
tert-butyl N-[4-(2-amino-4-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884300
tert-butyl N-[4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171884358
tert-butyl N-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884501
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
tert-butyl N-[4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884542
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butyl]carbamate
CID 171884463
tert-butyl N-[3,4-dihydroxy-4-(2-methyl-1H-imidazol-5-yl)butyl]carbamate
CID 171884245
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
tert-butyl N-[4-(5-amino-2-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884532
tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831786

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate (CID 171884816) is tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate is Cc1cc(N)nc(C)c1C(O)C(O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is PEOOPLAVSXYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-9-8-12(17)19-10(2)13(9)14(21)11(20)6-7-18-15(22)23-16(3,4)5/h8,11,14,20-21H,6-7H2,1-5H3,(H2,17,19)(H,18,22).
What are the key properties of tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171884816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).