5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide

C23H28N4O5 — CID 45485412

IUPAC5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)n1
InChIInChI=1S/C23H28N4O5/c1-15-14-26(23(30)17-8-6-5-7-9-17)12-13-27(15)22(29)16(2)32-19-11-10-18(20(28)24-3)25-21(19)31-4/h5-11,15-16H,12-14H2,1-4H3,(H,24,28)/t15-,16+/m1/s1
InChIKeyAOYWRFHEAZOZRH-CVEARBPZSA-N
MW440.50 g/mol
LogP1.59
Rot. Bonds6

About 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide

5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 45485412) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide
PubChem CID45485412
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)n1
InChIInChI=1S/C23H28N4O5/c1-15-14-26(23(30)17-8-6-5-7-9-17)12-13-27(15)22(29)16(2)32-19-11-10-18(20(28)24-3)25-21(19)31-4/h5-11,15-16H,12-14H2,1-4H3,(H,24,28)/t15-,16+/m1/s1
InChIKeyAOYWRFHEAZOZRH-CVEARBPZSA-N
XLogP1.59
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide (CID 45485412) is 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)n1.
What is the InChIKey of 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is AOYWRFHEAZOZRH-CVEARBPZSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15-14-26(23(30)17-8-6-5-7-9-17)12-13-27(15)22(29)16(2)32-19-11-10-18(20(28)24-3)25-21(19)31-4/h5-11,15-16H,12-14H2,1-4H3,(H,24,28)/t15-,16+/m1/s1.
What are the key properties of 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide?
5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 45485412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).