methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate

C16H18FN3O2 — CID 143081927

IUPACmethyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1ccc(-c2ccc(CN)cn2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-3-20(16(21)22-2)12-5-6-13(14(17)8-12)15-7-4-11(9-18)10-19-15/h4-8,10H,3,9,18H2,1-2H3
InChIKeyIORQWODAMPEWSN-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.94
Rot. Bonds4

About methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate

methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate (PubChem CID 143081927) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate
PubChem CID143081927
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Namemethyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1ccc(-c2ccc(CN)cn2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-3-20(16(21)22-2)12-5-6-13(14(17)8-12)15-7-4-11(9-18)10-19-15/h4-8,10H,3,9,18H2,1-2H3
InChIKeyIORQWODAMPEWSN-UHFFFAOYSA-N
XLogP2.94
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate (CID 143081927) is methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1ccc(-c2ccc(CN)cn2)c(F)c1.
What is the InChIKey of methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate?
The InChIKey is IORQWODAMPEWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-3-20(16(21)22-2)12-5-6-13(14(17)8-12)15-7-4-11(9-18)10-19-15/h4-8,10H,3,9,18H2,1-2H3.
What are the key properties of methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate?
methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate has a molecular weight of 303.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate is sourced from PubChem (CID 143081927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).