N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide

C16H18N2O3 — CID 161021114

IUPACN-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
SMILESCc1occc1CNC(=O)C(=O)CCCc1ccccn1
InChIInChI=1S/C16H18N2O3/c1-12-13(8-10-21-12)11-18-16(20)15(19)7-4-6-14-5-2-3-9-17-14/h2-3,5,8-10H,4,6-7,11H2,1H3,(H,18,20)
InChIKeyTYJOLOQDYWSKHO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.19
Rot. Bonds7

About N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide

N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide (PubChem CID 161021114) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
PubChem CID161021114
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
SMILESCc1occc1CNC(=O)C(=O)CCCc1ccccn1
InChIInChI=1S/C16H18N2O3/c1-12-13(8-10-21-12)11-18-16(20)15(19)7-4-6-14-5-2-3-9-17-14/h2-3,5,8-10H,4,6-7,11H2,1H3,(H,18,20)
InChIKeyTYJOLOQDYWSKHO-UHFFFAOYSA-N
XLogP2.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
CID 153125226
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 11221120
6-pyridin-2-ylhexanoate
CID 7109691
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 174254808

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
The IUPAC name of N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide (CID 161021114) is N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide.
What is the SMILES notation for N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
The canonical SMILES for N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide is Cc1occc1CNC(=O)C(=O)CCCc1ccccn1.
What is the InChIKey of N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
The InChIKey is TYJOLOQDYWSKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-13(8-10-21-12)11-18-16(20)15(19)7-4-6-14-5-2-3-9-17-14/h2-3,5,8-10H,4,6-7,11H2,1H3,(H,18,20).
What are the key properties of N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide has a molecular weight of 286.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide is sourced from PubChem (CID 161021114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).