ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate

C16H19N3O2 — CID 113011907

IUPACethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-3-21-16(20)19-14-9-10-15(17-11-14)18-12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOEHLUZNKIXCDIO-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.82
Rot. Bonds5

About ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate

ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate (PubChem CID 113011907) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
PubChem CID113011907
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-3-21-16(20)19-14-9-10-15(17-11-14)18-12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOEHLUZNKIXCDIO-UHFFFAOYSA-N
XLogP3.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026778
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate
CID 67761705
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate (CID 113011907) is ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(C)c2ccccc2)nc1.
What is the InChIKey of ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate?
The InChIKey is OEHLUZNKIXCDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-16(20)19-14-9-10-15(17-11-14)18-12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate?
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate has a molecular weight of 285.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113011907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).