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

C17H19BrN4O — CID 109355075

IUPACN-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)Nc3ccc(Br)cc3)ncn2)C1
InChIInChI=1S/C17H19BrN4O/c1-12-3-2-8-22(10-12)16-9-15(19-11-20-16)17(23)21-14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,21,23)
InChIKeyOXELUEJKIRIPEF-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.73
Rot. Bonds3

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

N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109355075) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109355075
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)Nc3ccc(Br)cc3)ncn2)C1
InChIInChI=1S/C17H19BrN4O/c1-12-3-2-8-22(10-12)16-9-15(19-11-20-16)17(23)21-14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,21,23)
InChIKeyOXELUEJKIRIPEF-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-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(4-bromophenyl)-6-methyl-4-[(3S)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 95050552
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109355075) is N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2cc(C(=O)Nc3ccc(Br)cc3)ncn2)C1.
What is the InChIKey of N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is OXELUEJKIRIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-3-2-8-22(10-12)16-9-15(19-11-20-16)17(23)21-14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(3-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-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).