2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide

C18H22N4O3 — CID 112522687

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C18H22N4O3/c1-4-25-16-8-6-5-7-15(16)21-17(23)13-9-10-19-14(11-13)12-20-18(24)22(2)3/h5-11H,4,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyDQWNUSZERXPOLU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds6

About 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide

2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide (PubChem CID 112522687) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
PubChem CID112522687
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C18H22N4O3/c1-4-25-16-8-6-5-7-15(16)21-17(23)13-9-10-19-14(11-13)12-20-18(24)22(2)3/h5-11H,4,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyDQWNUSZERXPOLU-UHFFFAOYSA-N
XLogP2.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-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

2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090577
4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 112524647
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide (CID 112522687) is 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is DQWNUSZERXPOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-25-16-8-6-5-7-15(16)21-17(23)13-9-10-19-14(11-13)12-20-18(24)22(2)3/h5-11H,4,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 112522687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).