N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide

C19H19N3O2 — CID 122355985

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2cccc3ccccc23)c(C)n1
InChIInChI=1S/C19H19N3O2/c1-4-24-19-20-12(2)17(13(3)21-19)22-18(23)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyQJBNTUFDOUZFMQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.90
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide (PubChem CID 122355985) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
PubChem CID122355985
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2cccc3ccccc23)c(C)n1
InChIInChI=1S/C19H19N3O2/c1-4-24-19-20-12(2)17(13(3)21-19)22-18(23)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyQJBNTUFDOUZFMQ-UHFFFAOYSA-N
XLogP3.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
CID 122356065
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 122357164
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356030
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122356081
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
CID 99812912
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356084

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide (CID 122355985) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide is CCOc1nc(C)c(NC(=O)c2cccc3ccccc23)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide?
The InChIKey is QJBNTUFDOUZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-24-19-20-12(2)17(13(3)21-19)22-18(23)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 122355985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).