5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide

C16H19BrN4O2 — CID 72718310

IUPAC5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(Br)o2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H19BrN4O2/c1-11-9-12(10-18-15(22)13-5-6-14(17)23-13)20-16(19-11)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,22)
InChIKeySGTRWCAQHBKEON-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.06
Rot. Bonds4

About 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide

5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide (PubChem CID 72718310) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
PubChem CID72718310
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(Br)o2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H19BrN4O2/c1-11-9-12(10-18-15(22)13-5-6-14(17)23-13)20-16(19-11)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,22)
InChIKeySGTRWCAQHBKEON-UHFFFAOYSA-N
XLogP3.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-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

2-(1,3-benzodioxol-5-yl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352849
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122352933
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
4-[[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methylamino]methyl]benzoic acid
CID 122034691
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352419

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide (CID 72718310) is 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide is Cc1cc(CNC(=O)c2ccc(Br)o2)nc(N2CCCCC2)n1.
What is the InChIKey of 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is SGTRWCAQHBKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11-9-12(10-18-15(22)13-5-6-14(17)23-13)20-16(19-11)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,22).
What are the key properties of 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 72718310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).