6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide

C22H28BrN5O — CID 151398245

IUPAC6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cccc(Br)n3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C22H28BrN5O/c1-26-12-14-27(15-13-26)17-8-9-18(20(16-17)28-10-3-2-4-11-28)25-22(29)19-6-5-7-21(23)24-19/h5-9,16H,2-4,10-15H2,1H3,(H,25,29)
InChIKeyOVXSVCAXZRVSSO-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.84
Rot. Bonds4

About 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide

6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide (PubChem CID 151398245) has the molecular formula C22H28BrN5O and a molecular weight of 458.40 g/mol. Its IUPAC name is 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
PubChem CID151398245
Molecular FormulaC22H28BrN5O
Molecular Weight458.40 g/mol
Exact Mass457.15
IUPAC Name6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cccc(Br)n3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C22H28BrN5O/c1-26-12-14-27(15-13-26)17-8-9-18(20(16-17)28-10-3-2-4-11-28)25-22(29)19-6-5-7-21(23)24-19/h5-9,16H,2-4,10-15H2,1H3,(H,25,29)
InChIKeyOVXSVCAXZRVSSO-UHFFFAOYSA-N
XLogP3.84
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137371002
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
6-bromo-N-[2-[[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-4-piperidin-1-ylphenyl]pyridine-2-carboxamide
CID 87060810
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 84573739
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide (CID 151398245) is 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3cccc(Br)n3)c(N3CCCCC3)c2)CC1.
What is the InChIKey of 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide?
The InChIKey is OVXSVCAXZRVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN5O/c1-26-12-14-27(15-13-26)17-8-9-18(20(16-17)28-10-3-2-4-11-28)25-22(29)19-6-5-7-21(23)24-19/h5-9,16H,2-4,10-15H2,1H3,(H,25,29).
What are the key properties of 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide?
6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide has a molecular weight of 458.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 151398245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).