ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

C15H16FN3O2 — CID 110179637

IUPACethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C15H16FN3O2/c1-2-21-15(20)19-13-7-8-14(18-10-13)17-9-11-3-5-12(16)6-4-11/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHDBYIQWTPIHALT-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.40
Rot. Bonds5

About ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 110179637) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID110179637
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Nameethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C15H16FN3O2/c1-2-21-15(20)19-13-7-8-14(18-10-13)17-9-11-3-5-12(16)6-4-11/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHDBYIQWTPIHALT-UHFFFAOYSA-N
XLogP3.40
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 110179637) is ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is HDBYIQWTPIHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-21-15(20)19-13-7-8-14(18-10-13)17-9-11-3-5-12(16)6-4-11/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110179637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).