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

C14H21N3O2 — CID 169467144

IUPACtert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
SMILESCc1cc(C=CCNC(=O)OC(C)(C)C)ncc1N
InChIInChI=1S/C14H21N3O2/c1-10-8-11(17-9-12(10)15)6-5-7-16-13(18)19-14(2,3)4/h5-6,8-9H,7,15H2,1-4H3,(H,16,18)
InChIKeyGCBLVABBMNMBKA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.51
Rot. Bonds3

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

tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169467144) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169467144
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
SMILESCc1cc(C=CCNC(=O)OC(C)(C)C)ncc1N
InChIInChI=1S/C14H21N3O2/c1-10-8-11(17-9-12(10)15)6-5-7-16-13(18)19-14(2,3)4/h5-6,8-9H,7,15H2,1-4H3,(H,16,18)
InChIKeyGCBLVABBMNMBKA-UHFFFAOYSA-N
XLogP2.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]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-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169467613
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
CID 89268543
CID 89268543
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate (CID 169467144) is tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate is Cc1cc(C=CCNC(=O)OC(C)(C)C)ncc1N.
What is the InChIKey of tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is GCBLVABBMNMBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-11(17-9-12(10)15)6-5-7-16-13(18)19-14(2,3)4/h5-6,8-9H,7,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).