N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

C14H22N2O3 — CID 54916287

IUPACN-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(CCCO)C(C)C)c(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-9(2)16(6-5-7-17)14(19)12-10(3)8-11(4)15-13(12)18/h8-9,17H,5-7H2,1-4H3,(H,15,18)
InChIKeyVDKGWVZSFJVIFQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds5

About N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 54916287) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID54916287
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(CCCO)C(C)C)c(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-9(2)16(6-5-7-17)14(19)12-10(3)8-11(4)15-13(12)18/h8-9,17H,5-7H2,1-4H3,(H,15,18)
InChIKeyVDKGWVZSFJVIFQ-UHFFFAOYSA-N
XLogP1.22
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (CID 54916287) is N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(CCCO)C(C)C)c(=O)[nH]1.
What is the InChIKey of N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is VDKGWVZSFJVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)16(6-5-7-17)14(19)12-10(3)8-11(4)15-13(12)18/h8-9,17H,5-7H2,1-4H3,(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4,6-dimethyl-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 54916287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).