benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate

C17H18N2O2 — CID 169471077

IUPACbenzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
SMILESCc1ccc(C=CCNC(=O)OCc2ccccc2)nc1
InChIInChI=1S/C17H18N2O2/c1-14-9-10-16(19-12-14)8-5-11-18-17(20)21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,18,20)
InChIKeyXNFBAXIFJPBIQR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.33
Rot. Bonds5

About benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate

benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169471077) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169471077
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namebenzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
SMILESCc1ccc(C=CCNC(=O)OCc2ccccc2)nc1
InChIInChI=1S/C17H18N2O2/c1-14-9-10-16(19-12-14)8-5-11-18-17(20)21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,18,20)
InChIKeyXNFBAXIFJPBIQR-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169472638
benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
CID 169471802
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate
CID 169471649
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate (CID 169471077) is benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate is Cc1ccc(C=CCNC(=O)OCc2ccccc2)nc1.
What is the InChIKey of benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is XNFBAXIFJPBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-14-9-10-16(19-12-14)8-5-11-18-17(20)21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,18,20).
What are the key properties of benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate?
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).