ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate

C15H17N3O2 — CID 110176786

IUPACethyl N-[6-(benzylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)18-13-8-9-14(17-11-13)16-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPMLOMYIVOYPSHM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds5

About ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate

ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate (PubChem CID 110176786) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(benzylamino)-3-pyridinyl]carbamate
PubChem CID110176786
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl N-[6-(benzylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)18-13-8-9-14(17-11-13)16-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPMLOMYIVOYPSHM-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate (CID 110176786) is ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccccc2)nc1.
What is the InChIKey of ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate?
The InChIKey is PMLOMYIVOYPSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-15(19)18-13-8-9-14(17-11-13)16-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate?
ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110176786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).