N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide

C13H15N3O3 — CID 122301975

IUPACN-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1ncc(NC(=O)c2cc(C)oc2C)cn1
InChIInChI=1S/C13H15N3O3/c1-4-18-13-14-6-10(7-15-13)16-12(17)11-5-8(2)19-9(11)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyKEELNSXZRQXTGZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.34
Rot. Bonds4

About N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide

N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 122301975) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID122301975
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1ncc(NC(=O)c2cc(C)oc2C)cn1
InChIInChI=1S/C13H15N3O3/c1-4-18-13-14-6-10(7-15-13)16-12(17)11-5-8(2)19-9(11)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyKEELNSXZRQXTGZ-UHFFFAOYSA-N
XLogP2.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-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

Related Compounds

N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541
N-[2-(dimethylamino)pyrimidin-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 122297954
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 100830839
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
N-(2-ethoxypyrimidin-5-yl)-2,2-dimethylpropanamide
CID 122301757
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide (CID 122301975) is N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide is CCOc1ncc(NC(=O)c2cc(C)oc2C)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KEELNSXZRQXTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-4-18-13-14-6-10(7-15-13)16-12(17)11-5-8(2)19-9(11)3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide?
N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 122301975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).