N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide

C13H20N2O3 — CID 91128810

IUPACN-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide
SMILESCC(C)(C)ONC(=O)N1C=CC=CC1CCC=O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-14-12(17)15-9-5-4-7-11(15)8-6-10-16/h4-5,7,9-11H,6,8H2,1-3H3,(H,14,17)
InChIKeyKSCIIUZDOGZYTH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.16
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide

N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide (PubChem CID 91128810) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide
PubChem CID91128810
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide
SMILESCC(C)(C)ONC(=O)N1C=CC=CC1CCC=O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-14-12(17)15-9-5-4-7-11(15)8-6-10-16/h4-5,7,9-11H,6,8H2,1-3H3,(H,14,17)
InChIKeyKSCIIUZDOGZYTH-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide 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

methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate
CID 130128914
1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone
CID 102578799
ethyl 2-(3-oxopropyl)-2H-quinoline-1-carboxylate
CID 10777673
tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
CID 167590283
N-[(2-methylpropan-2-yl)oxy]-2-(propylamino)acetamide
CID 82723789
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
methyl N-tert-butyl-N-(3-oxopropyl)carbamate
CID 175088328
2-(aminomethyl)-4,4-dimethyl-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 107472596
1-O-tert-butyl 2-O-methyl 5-(3-oxopropyl)pyrrolidine-1,2-dicarboxylate
CID 143043249
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
N,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2H-pyridine-1-carboxamide
CID 22507079
tert-butyl 2-(5-oxopent-1-ynyl)pyrrolidine-1-carboxylate
CID 123212803

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide (CID 91128810) is N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide is CC(C)(C)ONC(=O)N1C=CC=CC1CCC=O.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide?
The InChIKey is KSCIIUZDOGZYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-14-12(17)15-9-5-4-7-11(15)8-6-10-16/h4-5,7,9-11H,6,8H2,1-3H3,(H,14,17).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-(3-oxopropyl)-2H-pyridine-1-carboxamide is sourced from PubChem (CID 91128810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).