N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H26FN5O3 — CID 22274070

IUPACN-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4cnccc4N)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN5O3/c1-16(32)30-14-21-15-31(25(33)34-21)20-6-7-22(23(26)10-20)18-4-2-17(3-5-18)11-29-13-19-12-28-9-8-24(19)27/h2-10,12,21,29H,11,13-15H2,1H3,(H2,27,28)(H,30,32)
InChIKeyLDYUEJNIRXWLQX-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.22
Rot. Bonds8

About N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22274070) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID22274070
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4cnccc4N)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN5O3/c1-16(32)30-14-21-15-31(25(33)34-21)20-6-7-22(23(26)10-20)18-4-2-17(3-5-18)11-29-13-19-12-28-9-8-24(19)27/h2-10,12,21,29H,11,13-15H2,1H3,(H2,27,28)(H,30,32)
InChIKeyLDYUEJNIRXWLQX-UHFFFAOYSA-N
XLogP3.22
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22274070) is N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4cnccc4N)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LDYUEJNIRXWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-16(32)30-14-21-15-31(25(33)34-21)20-6-7-22(23(26)10-20)18-4-2-17(3-5-18)11-29-13-19-12-28-9-8-24(19)27/h2-10,12,21,29H,11,13-15H2,1H3,(H2,27,28)(H,30,32).
What are the key properties of N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 463.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-[[(4-amino-3-pyridinyl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22274070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).