N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide

C19H25N5O — CID 91969347

IUPACN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1N(C)C
InChIInChI=1S/C19H25N5O/c1-14-9-5-6-10-15(14)18(25)21-16-13-20-19(22-17(16)23(2)3)24-11-7-4-8-12-24/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,25)
InChIKeyJQIOEYRKGLKAMJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide (PubChem CID 91969347) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
PubChem CID91969347
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1N(C)C
InChIInChI=1S/C19H25N5O/c1-14-9-5-6-10-15(14)18(25)21-16-13-20-19(22-17(16)23(2)3)24-11-7-4-8-12-24/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,25)
InChIKeyJQIOEYRKGLKAMJ-UHFFFAOYSA-N
XLogP3.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
CID 122320200
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide (CID 91969347) is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide?
The InChIKey is JQIOEYRKGLKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-9-5-6-10-15(14)18(25)21-16-13-20-19(22-17(16)23(2)3)24-11-7-4-8-12-24/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide?
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide is sourced from PubChem (CID 91969347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).