2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide

C14H22N2O2 — CID 115186798

IUPAC2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
SMILESCCC(CO)C(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-4-11(9-17)13(18)16-10-14(2,3)12-5-7-15-8-6-12/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyGGZHJQHWDXEHRG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.49
Rot. Bonds6

About 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide

2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide (PubChem CID 115186798) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
PubChem CID115186798
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
SMILESCCC(CO)C(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-4-11(9-17)13(18)16-10-14(2,3)12-5-7-15-8-6-12/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyGGZHJQHWDXEHRG-UHFFFAOYSA-N
XLogP1.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
CID 75484225
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide (CID 115186798) is 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide is CCC(CO)C(=O)NCC(C)(C)c1ccncc1.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
The InChIKey is GGZHJQHWDXEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(9-17)13(18)16-10-14(2,3)12-5-7-15-8-6-12/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide?
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide is sourced from PubChem (CID 115186798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).