N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C17H19BrN4O — CID 109342287

IUPACN-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3cccc(Br)c3)ncn2)CC1
InChIInChI=1S/C17H19BrN4O/c1-12-5-7-22(8-6-12)16-10-15(19-11-20-16)17(23)21-14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,23)
InChIKeyLSBYNVAGWJGMKC-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.73
Rot. Bonds3

About N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109342287) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109342287
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3cccc(Br)c3)ncn2)CC1
InChIInChI=1S/C17H19BrN4O/c1-12-5-7-22(8-6-12)16-10-15(19-11-20-16)17(23)21-14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,23)
InChIKeyLSBYNVAGWJGMKC-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109342287) is N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCN(c2cc(C(=O)Nc3cccc(Br)c3)ncn2)CC1.
What is the InChIKey of N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is LSBYNVAGWJGMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-5-7-22(8-6-12)16-10-15(19-11-20-16)17(23)21-14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).