1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C11H14BrClN4O — CID 79076088

IUPAC1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O/c1-14-10(18)7-2-4-17(5-3-7)9-8(12)6-15-11(13)16-9/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyPHNFGVBBQSFHHX-UHFFFAOYSA-N
MW333.62 g/mol
LogP1.85
Rot. Bonds2

About 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 79076088) has the molecular formula C11H14BrClN4O and a molecular weight of 333.62 g/mol. Its IUPAC name is 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID79076088
Molecular FormulaC11H14BrClN4O
Molecular Weight333.62 g/mol
Exact Mass332.00
IUPAC Name1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O/c1-14-10(18)7-2-4-17(5-3-7)9-8(12)6-15-11(13)16-9/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyPHNFGVBBQSFHHX-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836946
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
tert-butyl N-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 123842349
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
CID 79075744
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345409
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087
5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536606
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 79073656
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
1-(5-bromo-2-chloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79072527

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 79076088) is 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is PHNFGVBBQSFHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O/c1-14-10(18)7-2-4-17(5-3-7)9-8(12)6-15-11(13)16-9/h6-7H,2-5H2,1H3,(H,14,18).
What are the key properties of 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 333.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 79076088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).