N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide

C26H28N4O5 — CID 148965387

IUPACN-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide
SMILESCC(=O)CC[C@H]1CN(c2ccc(C34CC3CN(C(=O)CNC(=O)c3cccnc3)C4)cc2)C(=O)O1
InChIInChI=1S/C26H28N4O5/c1-17(31)4-9-22-15-30(25(34)35-22)21-7-5-19(6-8-21)26-11-20(26)14-29(16-26)23(32)13-28-24(33)18-3-2-10-27-12-18/h2-3,5-8,10,12,20,22H,4,9,11,13-16H2,1H3,(H,28,33)/t20?,22-,26?/m0/s1
InChIKeyPSQDIBPNPAPNQY-HLTVDCFTSA-N
MW476.53 g/mol
LogP2.31
Rot. Bonds8

About N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide

N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 148965387) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID148965387
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide
SMILESCC(=O)CC[C@H]1CN(c2ccc(C34CC3CN(C(=O)CNC(=O)c3cccnc3)C4)cc2)C(=O)O1
InChIInChI=1S/C26H28N4O5/c1-17(31)4-9-22-15-30(25(34)35-22)21-7-5-19(6-8-21)26-11-20(26)14-29(16-26)23(32)13-28-24(33)18-3-2-10-27-12-18/h2-3,5-8,10,12,20,22H,4,9,11,13-16H2,1H3,(H,28,33)/t20?,22-,26?/m0/s1
InChIKeyPSQDIBPNPAPNQY-HLTVDCFTSA-N
XLogP2.31
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide (CID 148965387) is N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide is CC(=O)CC[C@H]1CN(c2ccc(C34CC3CN(C(=O)CNC(=O)c3cccnc3)C4)cc2)C(=O)O1.
What is the InChIKey of N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is PSQDIBPNPAPNQY-HLTVDCFTSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-17(31)4-9-22-15-30(25(34)35-22)21-7-5-19(6-8-21)26-11-20(26)14-29(16-26)23(32)13-28-24(33)18-3-2-10-27-12-18/h2-3,5-8,10,12,20,22H,4,9,11,13-16H2,1H3,(H,28,33)/t20?,22-,26?/m0/s1.
What are the key properties of N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide?
N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[1-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 148965387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).