1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C30H41N3O5 — CID 134210310

IUPAC1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC3CCC3)CC2(C)C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C30H41N3O5/c1-29(2)19-32(27(36)23(18-34)15-21-9-8-10-21)14-13-30(29,38)20-33-17-25(28(37)31(3)4)24(16-26(33)35)22-11-6-5-7-12-22/h5-7,11-12,16-17,21,23,34,38H,8-10,13-15,18-20H2,1-4H3/t23-,30+/m0/s1
InChIKeySURQKOABNLFGKI-YUDQIZAISA-N
MW523.67 g/mol
LogP3.01
Rot. Bonds8

About 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134210310) has the molecular formula C30H41N3O5 and a molecular weight of 523.67 g/mol. Its IUPAC name is 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID134210310
Molecular FormulaC30H41N3O5
Molecular Weight523.67 g/mol
Exact Mass523.30
IUPAC Name1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC3CCC3)CC2(C)C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C30H41N3O5/c1-29(2)19-32(27(36)23(18-34)15-21-9-8-10-21)14-13-30(29,38)20-33-17-25(28(37)31(3)4)24(16-26(33)35)22-11-6-5-7-12-22/h5-7,11-12,16-17,21,23,34,38H,8-10,13-15,18-20H2,1-4H3/t23-,30+/m0/s1
InChIKeySURQKOABNLFGKI-YUDQIZAISA-N
XLogP3.01
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.67
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 134210310) is 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](CO)CC3CCC3)CC2(C)C)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is SURQKOABNLFGKI-YUDQIZAISA-N. The full InChI is InChI=1S/C30H41N3O5/c1-29(2)19-32(27(36)23(18-34)15-21-9-8-10-21)14-13-30(29,38)20-33-17-25(28(37)31(3)4)24(16-26(33)35)22-11-6-5-7-12-22/h5-7,11-12,16-17,21,23,34,38H,8-10,13-15,18-20H2,1-4H3/t23-,30+/m0/s1.
What are the key properties of 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 523.67 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-[(2S)-2-(cyclobutylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134210310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).