5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one

C14H14N4O2 — CID 67608405

IUPAC5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1
InChIInChI=1S/C14H14N4O2/c15-6-12-9-18(14(19)20-12)13-4-3-11(8-17-13)10-2-1-5-16-7-10/h1-5,7-8,12H,6,9,15H2
InChIKeyBHPKRBKEFVVPIU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.43
Rot. Bonds3

About 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 67608405) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID67608405
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1
InChIInChI=1S/C14H14N4O2/c15-6-12-9-18(14(19)20-12)13-4-3-11(8-17-13)10-2-1-5-16-7-10/h1-5,7-8,12H,6,9,15H2
InChIKeyBHPKRBKEFVVPIU-UHFFFAOYSA-N
XLogP1.43
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
CID 70195308
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69242871
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
2-[[(5S)-3-(5-bromo-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 141389337
(3R,3aS)-3-(hydroxymethyl)-7-[6-[(5S)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 71601236
5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine
CID 142987301
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 67539306
N-[[(5S)-2-oxo-3-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22872368
4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile
CID 143191137

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one (CID 67608405) is 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one is NCC1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is BHPKRBKEFVVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-6-12-9-18(14(19)20-12)13-4-3-11(8-17-13)10-2-1-5-16-7-10/h1-5,7-8,12H,6,9,15H2.
What are the key properties of 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 270.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67608405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).