5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide

C18H27BrN4O — CID 73295355

IUPAC5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C18H27BrN4O/c1-20-18(24)16-11-13(19)12-21-17(16)23-9-7-15(8-10-23)22-14-5-3-2-4-6-14/h11-12,14-15,22H,2-10H2,1H3,(H,20,24)
InChIKeyFOHCCNWCJMORPU-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.09
Rot. Bonds4

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

5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 73295355) has the molecular formula C18H27BrN4O and a molecular weight of 395.35 g/mol. Its IUPAC name is 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID73295355
Molecular FormulaC18H27BrN4O
Molecular Weight395.35 g/mol
Exact Mass394.14
IUPAC Name5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C18H27BrN4O/c1-20-18(24)16-11-13(19)12-21-17(16)23-9-7-15(8-10-23)22-14-5-3-2-4-6-14/h11-12,14-15,22H,2-10H2,1H3,(H,20,24)
InChIKeyFOHCCNWCJMORPU-UHFFFAOYSA-N
XLogP3.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 139324890
propyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 129253306
N-(1-amino-2-methylpropylidene)-5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 118263663
1-(5-bromo-3-methoxycarbonyl-2-pyridinyl)-4-(cycloheptylamino)piperidine-3-carboxylic acid
CID 139325130
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
CID 123519804
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
CID 148579322
5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
CID 74890483
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133361207
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133361200

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 73295355) is 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is FOHCCNWCJMORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN4O/c1-20-18(24)16-11-13(19)12-21-17(16)23-9-7-15(8-10-23)22-14-5-3-2-4-6-14/h11-12,14-15,22H,2-10H2,1H3,(H,20,24).
What are the key properties of 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 395.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 73295355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).