5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide

C24H30BrF2N5O — CID 59427692

IUPAC5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(N2CCN(C3CCNCC3)CC2)c(Br)c1
InChIInChI=1S/C24H30BrF2N5O/c1-2-30(16-17-3-4-21(26)22(27)13-17)24(33)18-14-20(25)23(29-15-18)32-11-9-31(10-12-32)19-5-7-28-8-6-19/h3-4,13-15,19,28H,2,5-12,16H2,1H3
InChIKeyNPSFOGIZJQHLRP-UHFFFAOYSA-N
MW522.44 g/mol
LogP3.66
Rot. Bonds6

About 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide

5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 59427692) has the molecular formula C24H30BrF2N5O and a molecular weight of 522.44 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID59427692
Molecular FormulaC24H30BrF2N5O
Molecular Weight522.44 g/mol
Exact Mass521.16
IUPAC Name5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(N2CCN(C3CCNCC3)CC2)c(Br)c1
InChIInChI=1S/C24H30BrF2N5O/c1-2-30(16-17-3-4-21(26)22(27)13-17)24(33)18-14-20(25)23(29-15-18)32-11-9-31(10-12-32)19-5-7-28-8-6-19/h3-4,13-15,19,28H,2,5-12,16H2,1H3
InChIKeyNPSFOGIZJQHLRP-UHFFFAOYSA-N
XLogP3.66
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
(S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 11569938
(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 44592137
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10833725
6-bromo-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 101882735
4-fluoro-N-[3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 16278323
N-(1-benzylpiperidin-4-yl)-5-bromopyridine-3-carboxamide
CID 2594859
6-(3-bromoanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10073313
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11547698
1-(3-bromophenyl)-N-isopropyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 12991318
(S)-N-(2-aminophenyl)-6-(3-methylpiperazin-1-yl)nicotinamide
CID 16662685

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 59427692) is 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(N2CCN(C3CCNCC3)CC2)c(Br)c1.
What is the InChIKey of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is NPSFOGIZJQHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrF2N5O/c1-2-30(16-17-3-4-21(26)22(27)13-17)24(33)18-14-20(25)23(29-15-18)32-11-9-31(10-12-32)19-5-7-28-8-6-19/h3-4,13-15,19,28H,2,5-12,16H2,1H3.
What are the key properties of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide?
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 522.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-(4-piperidin-4-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59427692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).