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3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide

C20H28N4O2 — CID 129241169

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](NC(=O)CC(C)(C)O)C2)c2cccnc12
InChIInChI=1S/C20H28N4O2/c1-13-8-15(23-18(25)9-20(3,4)26)12-24(11-13)17-10-22-14(2)19-16(17)6-5-7-21-19/h5-7,10,13,15,26H,8-9,11-12H2,1-4H3,(H,23,25)/t13-,15+/m0/s1
InChIKeyWPRNJSJQSWZPAV-DZGCQCFKSA-N
MW356.47 g/mol
LogP2.43
Rot. Bonds4

About 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide

3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide (PubChem CID 129241169) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
PubChem CID129241169
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](NC(=O)CC(C)(C)O)C2)c2cccnc12
InChIInChI=1S/C20H28N4O2/c1-13-8-15(23-18(25)9-20(3,4)26)12-24(11-13)17-10-22-14(2)19-16(17)6-5-7-21-19/h5-7,10,13,15,26H,8-9,11-12H2,1-4H3,(H,23,25)/t13-,15+/m0/s1
InChIKeyWPRNJSJQSWZPAV-DZGCQCFKSA-N
XLogP2.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide?
The IUPAC name of 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide (CID 129241169) is 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide is Cc1ncc(N2C[C@@H](C)C[C@@H](NC(=O)CC(C)(C)O)C2)c2cccnc12.
What is the InChIKey of 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide?
The InChIKey is WPRNJSJQSWZPAV-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-8-15(23-18(25)9-20(3,4)26)12-24(11-13)17-10-22-14(2)19-16(17)6-5-7-21-19/h5-7,10,13,15,26H,8-9,11-12H2,1-4H3,(H,23,25)/t13-,15+/m0/s1.
What are the key properties of 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide?
3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide has a molecular weight of 356.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide is sourced from PubChem (CID 129241169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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