N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide

C15H23N3O4 — CID 50917140

IUPACN-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1/C=N/C(CO)(CO)CO
InChIInChI=1S/C15H23N3O4/c1-14(2,3)13(22)18-12-11(5-4-6-16-12)7-17-15(8-19,9-20)10-21/h4-7,19-21H,8-10H2,1-3H3,(H,16,18,22)/b17-7+
InChIKeyAIENZSACEONJIE-REZTVBANSA-N
MW309.37 g/mol
LogP0.20
Rot. Bonds6

About N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 50917140) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID50917140
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1/C=N/C(CO)(CO)CO
InChIInChI=1S/C15H23N3O4/c1-14(2,3)13(22)18-12-11(5-4-6-16-12)7-17-15(8-19,9-20)10-21/h4-7,19-21H,8-10H2,1-3H3,(H,16,18,22)/b17-7+
InChIKeyAIENZSACEONJIE-REZTVBANSA-N
XLogP0.20
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 50917140) is N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1/C=N/C(CO)(CO)CO.
What is the InChIKey of N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is AIENZSACEONJIE-REZTVBANSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-14(2,3)13(22)18-12-11(5-4-6-16-12)7-17-15(8-19,9-20)10-21/h4-7,19-21H,8-10H2,1-3H3,(H,16,18,22)/b17-7+.
What are the key properties of N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 50917140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).