N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide

C16H17N3O2 — CID 53080148

IUPACN-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cccc(C(C)=O)c2)c(C)n1
InChIInChI=1S/C16H17N3O2/c1-4-15-17-9-14(10(2)18-15)16(21)19-13-7-5-6-12(8-13)11(3)20/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyMTMYYPNUHKGRQR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.80
Rot. Bonds4

About N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide

N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide (PubChem CID 53080148) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
PubChem CID53080148
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cccc(C(C)=O)c2)c(C)n1
InChIInChI=1S/C16H17N3O2/c1-4-15-17-9-14(10(2)18-15)16(21)19-13-7-5-6-12(8-13)11(3)20/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyMTMYYPNUHKGRQR-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
CID 100753620
N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080138
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide (CID 53080148) is N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide is CCc1ncc(C(=O)Nc2cccc(C(C)=O)c2)c(C)n1.
What is the InChIKey of N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is MTMYYPNUHKGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-15-17-9-14(10(2)18-15)16(21)19-13-7-5-6-12(8-13)11(3)20/h5-9H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide?
N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 53080148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).