4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide

C15H15N5O2 — CID 122319436

IUPAC4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
SMILESCOc1ncc(NC(=O)c2ccc(C#N)cc2)c(N(C)C)n1
InChIInChI=1S/C15H15N5O2/c1-20(2)13-12(9-17-15(19-13)22-3)18-14(21)11-6-4-10(8-16)5-7-11/h4-7,9H,1-3H3,(H,18,21)
InChIKeyQEWWKRWEAWQGOA-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.68
Rot. Bonds4

About 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide

4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide (PubChem CID 122319436) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
PubChem CID122319436
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
SMILESCOc1ncc(NC(=O)c2ccc(C#N)cc2)c(N(C)C)n1
InChIInChI=1S/C15H15N5O2/c1-20(2)13-12(9-17-15(19-13)22-3)18-14(21)11-6-4-10(8-16)5-7-11/h4-7,9H,1-3H3,(H,18,21)
InChIKeyQEWWKRWEAWQGOA-UHFFFAOYSA-N
XLogP1.68
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122319457
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122319474
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
CID 122319329
4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide (CID 122319436) is 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide is COc1ncc(NC(=O)c2ccc(C#N)cc2)c(N(C)C)n1.
What is the InChIKey of 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
The InChIKey is QEWWKRWEAWQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20(2)13-12(9-17-15(19-13)22-3)18-14(21)11-6-4-10(8-16)5-7-11/h4-7,9H,1-3H3,(H,18,21).
What are the key properties of 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide?
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide has a molecular weight of 297.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide is sourced from PubChem (CID 122319436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).