ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate

C15H16FN3O2 — CID 141275396

IUPACethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cc2ccc(F)cc2)nc1N
InChIInChI=1S/C15H16FN3O2/c1-2-21-15(20)19-13-8-7-12(18-14(13)17)9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H2,17,18)(H,19,20)
InChIKeyZQUJZVFWQWCPPY-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.96
Rot. Bonds4

About ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate (PubChem CID 141275396) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
PubChem CID141275396
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Nameethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cc2ccc(F)cc2)nc1N
InChIInChI=1S/C15H16FN3O2/c1-2-21-15(20)19-13-8-7-12(18-14(13)17)9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H2,17,18)(H,19,20)
InChIKeyZQUJZVFWQWCPPY-UHFFFAOYSA-N
XLogP2.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate
CID 66509094
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 110186737
ethyl N-[2-amino-6-[3-[2-[(4-fluorophenyl)methyl]-1H-indol-3-yl]propylamino]-3-pyridinyl]carbamate
CID 67696757
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-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate
CID 25271804
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
CID 10266902
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 11296955

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate (CID 141275396) is ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Cc2ccc(F)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate?
The InChIKey is ZQUJZVFWQWCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-21-15(20)19-13-8-7-12(18-14(13)17)9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 141275396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).