N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide

C11H17N3O2 — CID 28902556

IUPACN-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)(C)CO)nc1
InChIInChI=1S/C11H17N3O2/c1-8(16)13-9-4-5-10(12-6-9)14-11(2,3)7-15/h4-6,15H,7H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyVIVSIXYHLHJNDC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.22
Rot. Bonds4

About N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide

N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide (PubChem CID 28902556) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide
PubChem CID28902556
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)(C)CO)nc1
InChIInChI=1S/C11H17N3O2/c1-8(16)13-9-4-5-10(12-6-9)14-11(2,3)7-15/h4-6,15H,7H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyVIVSIXYHLHJNDC-UHFFFAOYSA-N
XLogP1.22
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide (CID 28902556) is N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(NC(C)(C)CO)nc1.
What is the InChIKey of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide?
The InChIKey is VIVSIXYHLHJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(16)13-9-4-5-10(12-6-9)14-11(2,3)7-15/h4-6,15H,7H2,1-3H3,(H,12,14)(H,13,16).
What are the key properties of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide?
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 28902556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).