ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate

C17H20N4O2 — CID 110179492

IUPACethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC/C=C/c2ccccc2)nc1N
InChIInChI=1S/C17H20N4O2/c1-2-23-17(22)20-14-10-11-15(21-16(14)18)19-12-6-9-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,22)(H3,18,19,21)/b9-6+
InChIKeyPKVFHVLNFMADLC-RMKNXTFCSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds6

About ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate (PubChem CID 110179492) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate
PubChem CID110179492
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Nameethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC/C=C/c2ccccc2)nc1N
InChIInChI=1S/C17H20N4O2/c1-2-23-17(22)20-14-10-11-15(21-16(14)18)19-12-6-9-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,22)(H3,18,19,21)/b9-6+
InChIKeyPKVFHVLNFMADLC-RMKNXTFCSA-N
XLogP3.36
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
CID 137420884
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate
CID 123284761
[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate
CID 6115688

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate (CID 110179492) is ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC/C=C/c2ccccc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate?
The InChIKey is PKVFHVLNFMADLC-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-23-17(22)20-14-10-11-15(21-16(14)18)19-12-6-9-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,22)(H3,18,19,21)/b9-6+.
What are the key properties of ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110179492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).