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

C17H19N3O2 — CID 169471246

IUPACbenzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
SMILESCc1cnc(N)c(C=CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-10-15(16(18)20-11-13)8-5-9-19-17(21)22-12-14-6-3-2-4-7-14/h2-8,10-11H,9,12H2,1H3,(H2,18,20)(H,19,21)
InChIKeyOBDMFYNHZIYGDS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.91
Rot. Bonds5

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

benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169471246) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
PubChem CID169471246
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namebenzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
SMILESCc1cnc(N)c(C=CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-10-15(16(18)20-11-13)8-5-9-19-17(21)22-12-14-6-3-2-4-7-14/h2-8,10-11H,9,12H2,1H3,(H2,18,20)(H,19,21)
InChIKeyOBDMFYNHZIYGDS-UHFFFAOYSA-N
XLogP2.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate
CID 169471649
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
CID 169471314
benzyl N-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169472204
methyl 6-amino-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-3-carboxylate
CID 170494649
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate
CID 169471792
benzyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enyl]carbamate
CID 169472972
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate (CID 169471246) is benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate is Cc1cnc(N)c(C=CCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is OBDMFYNHZIYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-10-15(16(18)20-11-13)8-5-9-19-17(21)22-12-14-6-3-2-4-7-14/h2-8,10-11H,9,12H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).