6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C17H16N6O3 — CID 109359437

IUPAC6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3cc(C)on3)ncn2)c1
InChIInChI=1S/C17H16N6O3/c1-10-6-16(23-26-10)22-17(25)14-8-15(19-9-18-14)21-13-5-3-4-12(7-13)20-11(2)24/h3-9H,1-2H3,(H,20,24)(H,18,19,21)(H,22,23,25)
InChIKeyWJLOTCDDEFALKK-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.73
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109359437) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109359437
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3cc(C)on3)ncn2)c1
InChIInChI=1S/C17H16N6O3/c1-10-6-16(23-26-10)22-17(25)14-8-15(19-9-18-14)21-13-5-3-4-12(7-13)20-11(2)24/h3-9H,1-2H3,(H,20,24)(H,18,19,21)(H,22,23,25)
InChIKeyWJLOTCDDEFALKK-UHFFFAOYSA-N
XLogP2.73
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-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

6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359404
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109359696
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109359437) is 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)Nc3cc(C)on3)ncn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is WJLOTCDDEFALKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-10-6-16(23-26-10)22-17(25)14-8-15(19-9-18-14)21-13-5-3-4-12(7-13)20-11(2)24/h3-9H,1-2H3,(H,20,24)(H,18,19,21)(H,22,23,25).
What are the key properties of 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).