tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate

C14H22N4O2 — CID 169467613

IUPACtert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
SMILESCc1c(C=CCNC(=O)OC(C)(C)C)cnc(N)c1N
InChIInChI=1S/C14H22N4O2/c1-9-10(8-18-12(16)11(9)15)6-5-7-17-13(19)20-14(2,3)4/h5-6,8H,7,15H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyPNQMYLHMXFPJTR-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate

tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169467613) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
PubChem CID169467613
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
SMILESCc1c(C=CCNC(=O)OC(C)(C)C)cnc(N)c1N
InChIInChI=1S/C14H22N4O2/c1-9-10(8-18-12(16)11(9)15)6-5-7-17-13(19)20-14(2,3)4/h5-6,8H,7,15H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyPNQMYLHMXFPJTR-UHFFFAOYSA-N
XLogP2.09
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 89268543
CID 89268543
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
tert-butyl N-[3-(2-amino-3-methyl-5-nitrophenyl)prop-2-enyl]carbamate
CID 169468106
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1,3-thiazole-5-carboxylate
CID 169467907
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467247
methyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468149
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
CID 169467171

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate (CID 169467613) is tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate is Cc1c(C=CCNC(=O)OC(C)(C)C)cnc(N)c1N.
What is the InChIKey of tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is PNQMYLHMXFPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-10(8-18-12(16)11(9)15)6-5-7-17-13(19)20-14(2,3)4/h5-6,8H,7,15H2,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 278.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).