N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide

About N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide

N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 143999356) has the molecular formula C21H24F2N6O4 and a molecular weight of 462.46 g/mol. Its IUPAC name is N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name	N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID	143999356
Molecular Formula	C21H24F2N6O4
Molecular Weight	462.46 g/mol
Exact Mass	462.18
IUPAC Name	N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILES	NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4ccc[nH]4)CC3)c(F)c2)C(=O)O1
InChI	InChI=1S/C21H24F2N6O4/c22-15-8-13(29-12-14(10-24)33-21(29)32)9-16(23)19(15)28-6-4-27(5-7-28)18(30)11-26-20(31)17-2-1-3-25-17/h1-3,8-9,14,25H,4-7,10-12,24H2,(H,26,31)/t14-/m0/s1
InChIKey	AOHPKUORHDLGAQ-AWEZNQCLSA-N
XLogP	0.66
TPSA	124.00 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.46
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 143999356) is N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide is NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4ccc[nH]4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?

The InChIKey is AOHPKUORHDLGAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24F2N6O4/c22-15-8-13(29-12-14(10-24)33-21(29)32)9-16(23)19(15)28-6-4-27(5-7-28)18(30)11-26-20(31)17-2-1-3-25-17/h1-3,8-9,14,25H,4-7,10-12,24H2,(H,26,31)/t14-/m0/s1.

What are the key properties of N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?

N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 143999356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).