2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide

C28H40N4O2 — CID 77481100

IUPAC2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide
SMILESCC(O)C(N)C(=O)NC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C28H40N4O2/c1-18(33)25(29)26(34)30-20-11-15-32(16-12-20)24-8-6-7-23(31-24)19-9-10-21-22(17-19)28(4,5)14-13-27(21,2)3/h6-10,17-18,20,25,33H,11-16,29H2,1-5H3,(H,30,34)
InChIKeyFFYMLHWYSWYGJZ-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide

2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide (PubChem CID 77481100) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide
PubChem CID77481100
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide
SMILESCC(O)C(N)C(=O)NC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
InChIInChI=1S/C28H40N4O2/c1-18(33)25(29)26(34)30-20-11-15-32(16-12-20)24-8-6-7-23(31-24)19-9-10-21-22(17-19)28(4,5)14-13-27(21,2)3/h6-10,17-18,20,25,33H,11-16,29H2,1-5H3,(H,30,34)
InChIKeyFFYMLHWYSWYGJZ-UHFFFAOYSA-N
XLogP3.89
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide (CID 77481100) is 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide is CC(O)C(N)C(=O)NC1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.
What is the InChIKey of 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide?
The InChIKey is FFYMLHWYSWYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-18(33)25(29)26(34)30-20-11-15-32(16-12-20)24-8-6-7-23(31-24)19-9-10-21-22(17-19)28(4,5)14-13-27(21,2)3/h6-10,17-18,20,25,33H,11-16,29H2,1-5H3,(H,30,34).
What are the key properties of 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide?
2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide has a molecular weight of 464.65 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 77481100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).