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

C34H33ClN6O5 — CID 135146358

IUPACN-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN3CCOC3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cn2)c1Cl
InChIInChI=1S/C34H33ClN6O5/c1-21-25(4-2-6-27(21)38-32(43)29-11-9-23(17-37-29)19-41-14-15-46-34(41)45)26-5-3-7-28(31(26)35)39-33(44)30-10-8-22(16-36-30)18-40-13-12-24(42)20-40/h2-11,16-17,24,42H,12-15,18-20H2,1H3,(H,38,43)(H,39,44)/t24-/m1/s1
InChIKeyMEYQXOCAYNTRGQ-XMMPIXPASA-N
MW641.13 g/mol
LogP5.13
Rot. Bonds9

About N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 135146358) has the molecular formula C34H33ClN6O5 and a molecular weight of 641.13 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-[[(3R)-3-hydroxypyrrolidin-1-yl]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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID135146358
Molecular FormulaC34H33ClN6O5
Molecular Weight641.13 g/mol
Exact Mass640.22
IUPAC NameN-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN3CCOC3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cn2)c1Cl
InChIInChI=1S/C34H33ClN6O5/c1-21-25(4-2-6-27(21)38-32(43)29-11-9-23(17-37-29)19-41-14-15-46-34(41)45)26-5-3-7-28(31(26)35)39-33(44)30-10-8-22(16-36-30)18-40-13-12-24(42)20-40/h2-11,16-17,24,42H,12-15,18-20H2,1H3,(H,38,43)(H,39,44)/t24-/m1/s1
InChIKeyMEYQXOCAYNTRGQ-XMMPIXPASA-N
XLogP5.13
TPSA136.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.13
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide with MolForge

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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-[[(3R)-3-hydroxypyrrolidin-1-yl]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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide (CID 135146358) is N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]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-[[(3R)-3-hydroxypyrrolidin-1-yl]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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CN3CCOC3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is MEYQXOCAYNTRGQ-XMMPIXPASA-N. The full InChI is InChI=1S/C34H33ClN6O5/c1-21-25(4-2-6-27(21)38-32(43)29-11-9-23(17-37-29)19-41-14-15-46-34(41)45)26-5-3-7-28(31(26)35)39-33(44)30-10-8-22(16-36-30)18-40-13-12-24(42)20-40/h2-11,16-17,24,42H,12-15,18-20H2,1H3,(H,38,43)(H,39,44)/t24-/m1/s1.
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-[[(3R)-3-hydroxypyrrolidin-1-yl]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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 641.13 g/mol, XLogP of 5.13, 9 rotatable bonds, 3 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-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135146358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).