6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C19H24N4O — CID 109342168

IUPAC6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)NCCc3ccccc3)ncn2)CC1
InChIInChI=1S/C19H24N4O/c1-15-8-11-23(12-9-15)18-13-17(21-14-22-18)19(24)20-10-7-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,20,24)
InChIKeyMVKPPQSOKYPXHF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.69
Rot. Bonds5

About 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109342168) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109342168
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)NCCc3ccccc3)ncn2)CC1
InChIInChI=1S/C19H24N4O/c1-15-8-11-23(12-9-15)18-13-17(21-14-22-18)19(24)20-10-7-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,20,24)
InChIKeyMVKPPQSOKYPXHF-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
ethyl 4-[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109350551
N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342162
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109340765
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109342168) is 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide is CC1CCN(c2cc(C(=O)NCCc3ccccc3)ncn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is MVKPPQSOKYPXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-8-11-23(12-9-15)18-13-17(21-14-22-18)19(24)20-10-7-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,20,24).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).