N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane

C23H30BrN5O — CID 155778700

IUPACN-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane
SMILESCC.O=C(CCc1nnc2ccc(Br)cn12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24BrN5O.C2H6/c22-17-6-7-19-24-25-20(27(19)15-17)8-9-21(28)23-18-10-12-26(13-11-18)14-16-4-2-1-3-5-16;1-2/h1-7,15,18H,8-14H2,(H,23,28);1-2H3
InChIKeyHSVCFMHSNCOWBM-UHFFFAOYSA-N
MW472.43 g/mol
LogP4.23
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane

N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane (PubChem CID 155778700) has the molecular formula C23H30BrN5O and a molecular weight of 472.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane
PubChem CID155778700
Molecular FormulaC23H30BrN5O
Molecular Weight472.43 g/mol
Exact Mass471.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane
SMILESCC.O=C(CCc1nnc2ccc(Br)cn12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24BrN5O.C2H6/c22-17-6-7-19-24-25-20(27(19)15-17)8-9-21(28)23-18-10-12-26(13-11-18)14-16-4-2-1-3-5-16;1-2/h1-7,15,18H,8-14H2,(H,23,28);1-2H3
InChIKeyHSVCFMHSNCOWBM-UHFFFAOYSA-N
XLogP4.23
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane (CID 155778700) is N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane is CC.O=C(CCc1nnc2ccc(Br)cn12)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane?
The InChIKey is HSVCFMHSNCOWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O.C2H6/c22-17-6-7-19-24-25-20(27(19)15-17)8-9-21(28)23-18-10-12-26(13-11-18)14-16-4-2-1-3-5-16;1-2/h1-7,15,18H,8-14H2,(H,23,28);1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane?
N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane has a molecular weight of 472.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide;ethane is sourced from PubChem (CID 155778700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).