N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane

C15H27N3O2 — CID 19831996

IUPACN-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane
SMILESC.CC(C)C(=O)Nc1ccc(O)c(CNC(C)(C)C)n1
InChIInChI=1S/C14H23N3O2.CH4/c1-9(2)13(19)17-12-7-6-11(18)10(16-12)8-15-14(3,4)5;/h6-7,9,15,18H,8H2,1-5H3,(H,16,17,19);1H4
InChIKeyHLLDSCQFSAZWAS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds4

About N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane

N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane (PubChem CID 19831996) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane.

Molecular Properties

Compound NameN-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane
PubChem CID19831996
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane
SMILESC.CC(C)C(=O)Nc1ccc(O)c(CNC(C)(C)C)n1
InChIInChI=1S/C14H23N3O2.CH4/c1-9(2)13(19)17-12-7-6-11(18)10(16-12)8-15-14(3,4)5;/h6-7,9,15,18H,8H2,1-5H3,(H,16,17,19);1H4
InChIKeyHLLDSCQFSAZWAS-UHFFFAOYSA-N
XLogP2.91
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane?
The IUPAC name of N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane (CID 19831996) is N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane.
What is the SMILES notation for N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane?
The canonical SMILES for N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane is C.CC(C)C(=O)Nc1ccc(O)c(CNC(C)(C)C)n1.
What is the InChIKey of N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane?
The InChIKey is HLLDSCQFSAZWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.CH4/c1-9(2)13(19)17-12-7-6-11(18)10(16-12)8-15-14(3,4)5;/h6-7,9,15,18H,8H2,1-5H3,(H,16,17,19);1H4.
What are the key properties of N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane?
N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane has a molecular weight of 281.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(tert-butylamino)methyl]-5-hydroxy-2-pyridinyl]-2-methylpropanamide;methane is sourced from PubChem (CID 19831996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).