N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide

C16H24N2O3 — CID 70707076

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCN(CC1(CO)CCOCC1)C(=O)CCc1cccnc1
InChIInChI=1S/C16H24N2O3/c1-18(12-16(13-19)6-9-21-10-7-16)15(20)5-4-14-3-2-8-17-11-14/h2-3,8,11,19H,4-7,9-10,12-13H2,1H3
InChIKeyJFNGEFMPGHBVAA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.26
Rot. Bonds6

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide (PubChem CID 70707076) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
PubChem CID70707076
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCN(CC1(CO)CCOCC1)C(=O)CCc1cccnc1
InChIInChI=1S/C16H24N2O3/c1-18(12-16(13-19)6-9-21-10-7-16)15(20)5-4-14-3-2-8-17-11-14/h2-3,8,11,19H,4-7,9-10,12-13H2,1H3
InChIKeyJFNGEFMPGHBVAA-UHFFFAOYSA-N
XLogP1.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
4-(2-pyridin-3-ylethyl)oxane-4-carboxylic acid
CID 79425505
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 118772076
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 86912821
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
N-(4-hydroxycyclohexyl)-N-methyl-3-pyridin-3-ylpropanamide
CID 115277440
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
2,2-dimethyl-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobutanoic acid
CID 115165292

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide (CID 70707076) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide is CN(CC1(CO)CCOCC1)C(=O)CCc1cccnc1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is JFNGEFMPGHBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(12-16(13-19)6-9-21-10-7-16)15(20)5-4-14-3-2-8-17-11-14/h2-3,8,11,19H,4-7,9-10,12-13H2,1H3.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 70707076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).