benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate

C16H14N2O2 — CID 126531984

IUPACbenzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate
SMILESC#CCN(C(=O)OCc1ccccc1)c1ccncc1
InChIInChI=1S/C16H14N2O2/c1-2-12-18(15-8-10-17-11-9-15)16(19)20-13-14-6-4-3-5-7-14/h1,3-11H,12-13H2
InChIKeyIOKATLUELKVILO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.86
Rot. Bonds4

About benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate

benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate (PubChem CID 126531984) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate
PubChem CID126531984
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namebenzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate
SMILESC#CCN(C(=O)OCc1ccccc1)c1ccncc1
InChIInChI=1S/C16H14N2O2/c1-2-12-18(15-8-10-17-11-9-15)16(19)20-13-14-6-4-3-5-7-14/h1,3-11H,12-13H2
InChIKeyIOKATLUELKVILO-UHFFFAOYSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-methoxy-N-prop-2-ynylcarbamate
CID 14279740
ethyl 2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]acetate
CID 87488046
5-chloro-2-[2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]ethoxy]benzoic acid
CID 57291322
benzyl N-methyl-N-prop-2-ynoxycarbamate
CID 90159328
2-(4-amino-N-phenylmethoxycarbonylanilino)acetic acid
CID 18919523
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
methyl 3-chloro-5-[2-[phenylmethoxycarbonyl(pyridin-4-yl)amino]ethoxy]benzoate
CID 54506147
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N,N-dimethylcarbamate
CID 12963450
pyridin-4-yl N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 10756211
benzyl N-pent-4-enoyl-N-[phenylmethoxycarbonyl(prop-2-ynyl)amino]carbamate
CID 101360039
benzyl N-[4-(aminomethyl)phenyl]-N-(nitrosomethyl)carbamate
CID 91479548

Frequently Asked Questions

What is the IUPAC name of benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate?
The IUPAC name of benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate (CID 126531984) is benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate.
What is the SMILES notation for benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate?
The canonical SMILES for benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate is C#CCN(C(=O)OCc1ccccc1)c1ccncc1.
What is the InChIKey of benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate?
The InChIKey is IOKATLUELKVILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-12-18(15-8-10-17-11-9-15)16(19)20-13-14-6-4-3-5-7-14/h1,3-11H,12-13H2.
What are the key properties of benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate?
benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate has a molecular weight of 266.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-prop-2-ynyl-N-pyridin-4-ylcarbamate is sourced from PubChem (CID 126531984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).