N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide

C13H20N2O2 — CID 109388299

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
SMILESCC(CO)N(C)C(=O)CCCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-11(10-16)15(2)13(17)8-5-7-12-6-3-4-9-14-12/h3-4,6,9,11,16H,5,7-8,10H2,1-2H3
InChIKeyZZVPFHNFZZUONP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.24
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide

N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide (PubChem CID 109388299) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
PubChem CID109388299
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
SMILESCC(CO)N(C)C(=O)CCCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-11(10-16)15(2)13(17)8-5-7-12-6-3-4-9-14-12/h3-4,6,9,11,16H,5,7-8,10H2,1-2H3
InChIKeyZZVPFHNFZZUONP-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 95275156
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
N-cyclopropyl-4-pyridin-2-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95625250
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 122159923

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide (CID 109388299) is N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide is CC(CO)N(C)C(=O)CCCc1ccccn1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide?
The InChIKey is ZZVPFHNFZZUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(10-16)15(2)13(17)8-5-7-12-6-3-4-9-14-12/h3-4,6,9,11,16H,5,7-8,10H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide?
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 109388299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).