3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide

C15H18N4O2 — CID 122301989

IUPAC3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
SMILESCCOc1ncc(NC(=O)c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C15H18N4O2/c1-4-21-15-16-9-12(10-17-15)18-14(20)11-6-5-7-13(8-11)19(2)3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyVYYGLRLESFJANB-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.19
Rot. Bonds5

About 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide

3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide (PubChem CID 122301989) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
PubChem CID122301989
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
SMILESCCOc1ncc(NC(=O)c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C15H18N4O2/c1-4-21-15-16-9-12(10-17-15)18-14(20)11-6-5-7-13(8-11)19(2)3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyVYYGLRLESFJANB-UHFFFAOYSA-N
XLogP2.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide 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

3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
CID 122301792
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide (CID 122301989) is 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide is CCOc1ncc(NC(=O)c2cccc(N(C)C)c2)cn1.
What is the InChIKey of 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide?
The InChIKey is VYYGLRLESFJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-21-15-16-9-12(10-17-15)18-14(20)11-6-5-7-13(8-11)19(2)3/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide?
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide has a molecular weight of 286.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122301989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).