benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate

C16H17N3O2 — CID 169471041

IUPACbenzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
SMILESNc1cccnc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H17N3O2/c17-14-8-4-10-18-15(14)9-5-11-19-16(20)21-12-13-6-2-1-3-7-13/h1-10H,11-12,17H2,(H,19,20)
InChIKeyNYWUIXMMRUVIQR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.60
Rot. Bonds5

About benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate

benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169471041) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169471041
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Namebenzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
SMILESNc1cccnc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H17N3O2/c17-14-8-4-10-18-15(14)9-5-11-19-16(20)21-12-13-6-2-1-3-7-13/h1-10H,11-12,17H2,(H,19,20)
InChIKeyNYWUIXMMRUVIQR-UHFFFAOYSA-N
XLogP2.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate
CID 169472384
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169472695
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
benzyl N-[3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enyl]carbamate
CID 169472949
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate (CID 169471041) is benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate is Nc1cccnc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is NYWUIXMMRUVIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-14-8-4-10-18-15(14)9-5-11-19-16(20)21-12-13-6-2-1-3-7-13/h1-10H,11-12,17H2,(H,19,20).
What are the key properties of benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate?
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).