N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

C32H31ClN6O5 — CID 135146364

IUPACN-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN3CCOC3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCO)cn2)c1Cl
InChIInChI=1S/C32H31ClN6O5/c1-20-23(4-2-6-25(20)37-30(41)28-11-9-22(18-36-28)19-39-13-15-44-32(39)43)24-5-3-7-26(29(24)33)38-31(42)27-10-8-21(17-35-27)16-34-12-14-40/h2-11,17-18,34,40H,12-16,19H2,1H3,(H,37,41)(H,38,42)
InChIKeyWVYADZFGYXLXSO-UHFFFAOYSA-N
MW615.09 g/mol
LogP4.64
Rot. Bonds11

About N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (PubChem CID 135146364) has the molecular formula C32H31ClN6O5 and a molecular weight of 615.09 g/mol. Its IUPAC name is N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
PubChem CID135146364
Molecular FormulaC32H31ClN6O5
Molecular Weight615.09 g/mol
Exact Mass614.20
IUPAC NameN-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN3CCOC3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCO)cn2)c1Cl
InChIInChI=1S/C32H31ClN6O5/c1-20-23(4-2-6-25(20)37-30(41)28-11-9-22(18-36-28)19-39-13-15-44-32(39)43)24-5-3-7-26(29(24)33)38-31(42)27-10-8-21(17-35-27)16-34-12-14-40/h2-11,17-18,34,40H,12-16,19H2,1H3,(H,37,41)(H,38,42)
InChIKeyWVYADZFGYXLXSO-UHFFFAOYSA-N
XLogP4.64
TPSA145.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.09
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (CID 135146364) is N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CN3CCOC3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCO)cn2)c1Cl.
What is the InChIKey of N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The InChIKey is WVYADZFGYXLXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN6O5/c1-20-23(4-2-6-25(20)37-30(41)28-11-9-22(18-36-28)19-39-13-15-44-32(39)43)24-5-3-7-26(29(24)33)38-31(42)27-10-8-21(17-35-27)16-34-12-14-40/h2-11,17-18,34,40H,12-16,19H2,1H3,(H,37,41)(H,38,42).
What are the key properties of N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide has a molecular weight of 615.09 g/mol, XLogP of 4.64, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135146364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).