2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

C13H20N2O2 — CID 115187356

IUPAC2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)C(CO)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(2)12(9-16)13(17)15(3)8-11-4-6-14-7-5-11/h4-7,10,12,16H,8-9H2,1-3H3
InChIKeyFTHWRQDHNWZWGX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds5

About 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 115187356) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID115187356
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)C(CO)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(2)12(9-16)13(17)15(3)8-11-4-6-14-7-5-11/h4-7,10,12,16H,8-9H2,1-3H3
InChIKeyFTHWRQDHNWZWGX-UHFFFAOYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 94155976
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide
CID 115187257
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (CID 115187356) is 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is CC(C)C(CO)C(=O)N(C)Cc1ccncc1.
What is the InChIKey of 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is FTHWRQDHNWZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)12(9-16)13(17)15(3)8-11-4-6-14-7-5-11/h4-7,10,12,16H,8-9H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 115187356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).