benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate

C17H18N2O3 — CID 169471365

IUPACbenzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(CO)ccn1)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-12-15-8-10-18-16(11-15)7-4-9-19-17(21)22-13-14-5-2-1-3-6-14/h1-8,10-11,20H,9,12-13H2,(H,19,21)
InChIKeyUUAGQLBSVWGDRM-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.51
Rot. Bonds6

About benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate

benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate (PubChem CID 169471365) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
PubChem CID169471365
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(CO)ccn1)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-12-15-8-10-18-16(11-15)7-4-9-19-17(21)22-13-14-5-2-1-3-6-14/h1-8,10-11,20H,9,12-13H2,(H,19,21)
InChIKeyUUAGQLBSVWGDRM-UHFFFAOYSA-N
XLogP2.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471497
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[4-(4-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170493488
2-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-4-carboxylic acid
CID 170494109
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169472638
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
CID 169471802
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate (CID 169471365) is benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate is O=C(NCC=Cc1cc(CO)ccn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate?
The InChIKey is UUAGQLBSVWGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-12-15-8-10-18-16(11-15)7-4-9-19-17(21)22-13-14-5-2-1-3-6-14/h1-8,10-11,20H,9,12-13H2,(H,19,21).
What are the key properties of benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).