ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate

C16H19N3O3 — CID 113027367

IUPACethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2OC)cn1
InChIInChI=1S/C16H19N3O3/c1-3-22-16(20)19-15-9-8-13(11-18-15)17-10-12-6-4-5-7-14(12)21-2/h4-9,11,17H,3,10H2,1-2H3,(H,18,19,20)
InChIKeyRCRMTRJQFVHFCS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.27
Rot. Bonds6

About ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate

ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate (PubChem CID 113027367) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
PubChem CID113027367
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2OC)cn1
InChIInChI=1S/C16H19N3O3/c1-3-22-16(20)19-15-9-8-13(11-18-15)17-10-12-6-4-5-7-14(12)21-2/h4-9,11,17H,3,10H2,1-2H3,(H,18,19,20)
InChIKeyRCRMTRJQFVHFCS-UHFFFAOYSA-N
XLogP3.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
CID 113028219
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113027345
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]furan-2-carboxamide
CID 113027322
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate (CID 113027367) is ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccccc2OC)cn1.
What is the InChIKey of ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is RCRMTRJQFVHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-16(20)19-15-9-8-13(11-18-15)17-10-12-6-4-5-7-14(12)21-2/h4-9,11,17H,3,10H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate?
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113027367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).