N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide

C16H18BrN5O2 — CID 175649555

IUPACN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1nc(N2CCC(NC(=O)c3cccnc3)CC2)ncc1Br
InChIInChI=1S/C16H18BrN5O2/c1-24-15-13(17)10-19-16(21-15)22-7-4-12(5-8-22)20-14(23)11-3-2-6-18-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyBXOVGNLDPGIJTD-UHFFFAOYSA-N
MW392.26 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 175649555) has the molecular formula C16H18BrN5O2 and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID175649555
Molecular FormulaC16H18BrN5O2
Molecular Weight392.26 g/mol
Exact Mass391.06
IUPAC NameN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1nc(N2CCC(NC(=O)c3cccnc3)CC2)ncc1Br
InChIInChI=1S/C16H18BrN5O2/c1-24-15-13(17)10-19-16(21-15)22-7-4-12(5-8-22)20-14(23)11-3-2-6-18-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyBXOVGNLDPGIJTD-UHFFFAOYSA-N
XLogP2.04
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649792
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methoxybenzamide
CID 75394886
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431724
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 175649555) is N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is COc1nc(N2CCC(NC(=O)c3cccnc3)CC2)ncc1Br.
What is the InChIKey of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is BXOVGNLDPGIJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O2/c1-24-15-13(17)10-19-16(21-15)22-7-4-12(5-8-22)20-14(23)11-3-2-6-18-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,23).
What are the key properties of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175649555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).