N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C17H19BrN4O — CID 109264504

IUPACN-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCCN(c2ncc(C(=O)Nc3cccc(Br)c3)cn2)C1
InChIInChI=1S/C17H19BrN4O/c1-12-4-3-7-22(11-12)17-19-9-13(10-20-17)16(23)21-15-6-2-5-14(18)8-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,21,23)
InChIKeyQFHYTAVAALTNDE-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.73
Rot. Bonds3

About N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264504) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264504
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCCN(c2ncc(C(=O)Nc3cccc(Br)c3)cn2)C1
InChIInChI=1S/C17H19BrN4O/c1-12-4-3-7-22(11-12)17-19-9-13(10-20-17)16(23)21-15-6-2-5-14(18)8-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,21,23)
InChIKeyQFHYTAVAALTNDE-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

Analyze N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264466
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
methyl 3-[(2-pyrrolidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109249479
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264475
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109288853
N-(4-bromo-2-methylphenyl)-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109161724
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264504) is N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CC1CCCN(c2ncc(C(=O)Nc3cccc(Br)c3)cn2)C1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is QFHYTAVAALTNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-4-3-7-22(11-12)17-19-9-13(10-20-17)16(23)21-15-6-2-5-14(18)8-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-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)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).