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

C19H25N5O2 — CID 122320121

IUPACN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1N(C)C
InChIInChI=1S/C19H25N5O2/c1-23(2)17-15(13-20-19(22-17)24-11-7-4-8-12-24)21-18(25)14-9-5-6-10-16(14)26-3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,25)
InChIKeyNZWLLRRAKHGYIF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.79
Rot. Bonds5

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

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide (PubChem CID 122320121) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
PubChem CID122320121
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1N(C)C
InChIInChI=1S/C19H25N5O2/c1-23(2)17-15(13-20-19(22-17)24-11-7-4-8-12-24)21-18(25)14-9-5-6-10-16(14)26-3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,25)
InChIKeyNZWLLRRAKHGYIF-UHFFFAOYSA-N
XLogP2.79
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
1-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]urea
CID 122320358
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
1-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122320139
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide (CID 122320121) is N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide?
The InChIKey is NZWLLRRAKHGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(2)17-15(13-20-19(22-17)24-11-7-4-8-12-24)21-18(25)14-9-5-6-10-16(14)26-3/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-methoxybenzamide?
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 122320121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).