4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile

C16H14N4O2 — CID 143191137

IUPAC4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(N3CC(CN)OC3=O)cc2)ccn1
InChIInChI=1S/C16H14N4O2/c17-8-13-7-12(5-6-19-13)11-1-3-14(4-2-11)20-10-15(9-18)22-16(20)21/h1-7,15H,9-10,18H2
InChIKeyZDWHMQDRAOZISW-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.90
Rot. Bonds3

About 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile

4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile (PubChem CID 143191137) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile
PubChem CID143191137
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(N3CC(CN)OC3=O)cc2)ccn1
InChIInChI=1S/C16H14N4O2/c17-8-13-7-12(5-6-19-13)11-1-3-14(4-2-11)20-10-15(9-18)22-16(20)21/h1-7,15H,9-10,18H2
InChIKeyZDWHMQDRAOZISW-UHFFFAOYSA-N
XLogP1.90
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 67539306
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
CID 68916606
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile (CID 143191137) is 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(N3CC(CN)OC3=O)cc2)ccn1.
What is the InChIKey of 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile?
The InChIKey is ZDWHMQDRAOZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-8-13-7-12(5-6-19-13)11-1-3-14(4-2-11)20-10-15(9-18)22-16(20)21/h1-7,15H,9-10,18H2.
What are the key properties of 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile?
4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 143191137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).