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

C21H33BrN4O — CID 139324890

IUPAC5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cnc1N1CCC(CCCNC2CCCCC2)CC1
InChIInChI=1S/C21H33BrN4O/c1-23-21(27)19-14-17(22)15-25-20(19)26-12-9-16(10-13-26)6-5-11-24-18-7-3-2-4-8-18/h14-16,18,24H,2-13H2,1H3,(H,23,27)
InChIKeyRPXKXAOTTZGPLM-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.12
Rot. Bonds7

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

5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 139324890) has the molecular formula C21H33BrN4O and a molecular weight of 437.43 g/mol. Its IUPAC name is 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID139324890
Molecular FormulaC21H33BrN4O
Molecular Weight437.43 g/mol
Exact Mass436.18
IUPAC Name5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cnc1N1CCC(CCCNC2CCCCC2)CC1
InChIInChI=1S/C21H33BrN4O/c1-23-21(27)19-14-17(22)15-25-20(19)26-12-9-16(10-13-26)6-5-11-24-18-7-3-2-4-8-18/h14-16,18,24H,2-13H2,1H3,(H,23,27)
InChIKeyRPXKXAOTTZGPLM-UHFFFAOYSA-N
XLogP4.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 73295355
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
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 103582806
1-(5-bromo-3-methoxycarbonyl-2-pyridinyl)-4-(cycloheptylamino)piperidine-3-carboxylic acid
CID 139325130
methyl 2-[4-(2-adamantylmethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate
CID 149001963
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
CID 171994103
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 139324890) is 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(Br)cnc1N1CCC(CCCNC2CCCCC2)CC1.
What is the InChIKey of 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is RPXKXAOTTZGPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33BrN4O/c1-23-21(27)19-14-17(22)15-25-20(19)26-12-9-16(10-13-26)6-5-11-24-18-7-3-2-4-8-18/h14-16,18,24H,2-13H2,1H3,(H,23,27).
What are the key properties of 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-[3-(cyclohexylamino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 139324890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).