ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate

C17H19N3O3 — CID 139362692

IUPACethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
SMILESC=C(NC(=O)OCC)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-3-22-17(21)20-13(2)19-16-15(10-7-11-18-16)23-12-14-8-5-4-6-9-14/h4-11H,2-3,12H2,1H3,(H,18,19)(H,20,21)
InChIKeyKHIVGXWRPLYYEL-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.29
Rot. Bonds7

About ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate

ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate (PubChem CID 139362692) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
PubChem CID139362692
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
SMILESC=C(NC(=O)OCC)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-3-22-17(21)20-13(2)19-16-15(10-7-11-18-16)23-12-14-8-5-4-6-9-14/h4-11H,2-3,12H2,1H3,(H,18,19)(H,20,21)
InChIKeyKHIVGXWRPLYYEL-UHFFFAOYSA-N
XLogP3.29
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
CID 11379829
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23595987
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate?
The IUPAC name of ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate (CID 139362692) is ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate.
What is the SMILES notation for ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate?
The canonical SMILES for ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate is C=C(NC(=O)OCC)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate?
The InChIKey is KHIVGXWRPLYYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-22-17(21)20-13(2)19-16-15(10-7-11-18-16)23-12-14-8-5-4-6-9-14/h4-11H,2-3,12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate?
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate has a molecular weight of 313.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate is sourced from PubChem (CID 139362692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).