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

C23H28N4O5 — CID 11655099

IUPAC5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cn1
InChIInChI=1S/C23H28N4O5/c1-15-14-26(23(30)17-8-6-5-7-9-17)10-11-27(15)22(29)16(2)32-20-13-25-18(21(28)24-3)12-19(20)31-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,24,28)/t15-,16+/m1/s1
InChIKeyKVDRFBPETGPOMO-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-4-methoxy-N-methylpyridine-2-carboxamide

5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 11655099) 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-4-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide
PubChem CID11655099
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-4-methoxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cn1
InChIInChI=1S/C23H28N4O5/c1-15-14-26(23(30)17-8-6-5-7-9-17)10-11-27(15)22(29)16(2)32-20-13-25-18(21(28)24-3)12-19(20)31-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,24,28)/t15-,16+/m1/s1
InChIKeyKVDRFBPETGPOMO-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-4-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide (CID 11655099) is 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-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-4-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cn1.
What is the InChIKey of 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is KVDRFBPETGPOMO-CVEARBPZSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15-14-26(23(30)17-8-6-5-7-9-17)10-11-27(15)22(29)16(2)32-20-13-25-18(21(28)24-3)12-19(20)31-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(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-4-methoxy-N-methylpyridine-2-carboxamide?
5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-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-4-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11655099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).