N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

C22H25ClFN5O — CID 78841914

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 78841914) has the molecular formula C22H25ClFN5O and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
• PubChem CID: 78841914
• Molecular Formula: C22H25ClFN5O
• Molecular Weight: 429.93 g/mol
• Exact Mass: 429.17
• IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
• SMILES: CC(C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(c2nnc3ccccn23)CC1
• InChI: InChI=1S/C22H25ClFN5O/c1-15(22(30)27(2)14-17-18(23)6-5-7-19(17)24)28-12-9-16(10-13-28)21-26-25-20-8-3-4-11-29(20)21/h3-8,11,15-16H,9-10,12-14H2,1-2H3
• InChIKey: ROOUPDIHQLAZDZ-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 53.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.93
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?

The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (CID 78841914) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.

What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?

The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is CC(C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(c2nnc3ccccn23)CC1.

What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?

The InChIKey is ROOUPDIHQLAZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O/c1-15(22(30)27(2)14-17-18(23)6-5-7-19(17)24)28-12-9-16(10-13-28)21-26-25-20-8-3-4-11-29(20)21/h3-8,11,15-16H,9-10,12-14H2,1-2H3.

What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 429.93 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 78841914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).