N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide

C22H26BrN5O — CID 154877261

IUPACN-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(NCc2cn3ccc(Br)cc3n2)cc1
InChIInChI=1S/C22H26BrN5O/c23-17-8-13-28-16-20(25-21(28)14-17)15-24-18-4-6-19(7-5-18)26-22(29)9-12-27-10-2-1-3-11-27/h4-8,13-14,16,24H,1-3,9-12,15H2,(H,26,29)
InChIKeyOTQJUFDYEKSNOO-UHFFFAOYSA-N
MW456.39 g/mol
LogP4.52
Rot. Bonds7

About N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide

N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 154877261) has the molecular formula C22H26BrN5O and a molecular weight of 456.39 g/mol. Its IUPAC name is N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID154877261
Molecular FormulaC22H26BrN5O
Molecular Weight456.39 g/mol
Exact Mass455.13
IUPAC NameN-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(NCc2cn3ccc(Br)cc3n2)cc1
InChIInChI=1S/C22H26BrN5O/c23-17-8-13-28-16-20(25-21(28)14-17)15-24-18-4-6-19(7-5-18)26-22(29)9-12-27-10-2-1-3-11-27/h4-8,13-14,16,24H,1-3,9-12,15H2,(H,26,29)
InChIKeyOTQJUFDYEKSNOO-UHFFFAOYSA-N
XLogP4.52
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide (CID 154877261) is N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccc(NCc2cn3ccc(Br)cc3n2)cc1.
What is the InChIKey of N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is OTQJUFDYEKSNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN5O/c23-17-8-13-28-16-20(25-21(28)14-17)15-24-18-4-6-19(7-5-18)26-22(29)9-12-27-10-2-1-3-11-27/h4-8,13-14,16,24H,1-3,9-12,15H2,(H,26,29).
What are the key properties of N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide?
N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 456.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 154877261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).