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

C14H23N3O4 — CID 170831786

IUPACtert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(N)nc(C(O)C(O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H23N3O4/c1-8-5-9(17-11(15)6-8)12(19)10(18)7-16-13(20)21-14(2,3)4/h5-6,10,12,18-19H,7H2,1-4H3,(H2,15,17)(H,16,20)
InChIKeyOPIFXYFVFCFUCQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.89
Rot. Bonds4

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

tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170831786) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170831786
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(N)nc(C(O)C(O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H23N3O4/c1-8-5-9(17-11(15)6-8)12(19)10(18)7-16-13(20)21-14(2,3)4/h5-6,10,12,18-19H,7H2,1-4H3,(H2,15,17)(H,16,20)
InChIKeyOPIFXYFVFCFUCQ-UHFFFAOYSA-N
XLogP0.89
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-(2,6-diethyl-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832631
tert-butyl N-[3-(4,5-diamino-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832087
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-(3,5-dimethyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831851
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[3-(5-bromo-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833174
tert-butyl N-[3-(2-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831836
tert-butyl N-[4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171884358
tert-butyl N-[3-(4-amino-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832195
tert-butyl N-[3-(4-amino-3-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832155

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 170831786) is tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is Cc1cc(N)nc(C(O)C(O)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is OPIFXYFVFCFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8-5-9(17-11(15)6-8)12(19)10(18)7-16-13(20)21-14(2,3)4/h5-6,10,12,18-19H,7H2,1-4H3,(H2,15,17)(H,16,20).
What are the key properties of tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170831786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).