5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide

C15H17BrN4O2 — CID 90546108

IUPAC5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(Br)o3)ncn2)CC1
InChIInChI=1S/C15H17BrN4O2/c1-10-4-6-20(7-5-10)14-8-13(17-9-18-14)19-15(21)11-2-3-12(16)22-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,19,21)
InChIKeyOQOASKARPFHXOG-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.32
Rot. Bonds3

About 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide

5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide (PubChem CID 90546108) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
PubChem CID90546108
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(Br)o3)ncn2)CC1
InChIInChI=1S/C15H17BrN4O2/c1-10-4-6-20(7-5-10)14-8-13(17-9-18-14)19-15(21)11-2-3-12(16)22-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,19,21)
InChIKeyOQOASKARPFHXOG-UHFFFAOYSA-N
XLogP3.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
5-cyclopropyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90546182
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-(4-nitrophenyl)acetamide
CID 90545987
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 90546262
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide (CID 90546108) is 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide is CC1CCN(c2cc(NC(=O)c3ccc(Br)o3)ncn2)CC1.
What is the InChIKey of 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide?
The InChIKey is OQOASKARPFHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-10-4-6-20(7-5-10)14-8-13(17-9-18-14)19-15(21)11-2-3-12(16)22-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,19,21).
What are the key properties of 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide?
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 90546108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).