N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide

C24H25ClN6O3 — CID 134178326

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 134178326) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 134178326
• Molecular Formula: C24H25ClN6O3
• Molecular Weight: 480.96 g/mol
• Exact Mass: 480.17
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1
• InChI: InChI=1S/C24H25ClN6O3/c1-12-5-19(26)29-13(2)17(12)11-28-22(32)23-31-30-20(34-23)8-14-6-15-9-16(25)10-27-21(15)18(7-14)24(3,4)33/h5-7,9-10,33H,8,11H2,1-4H3,(H2,26,29)(H,28,32)
• InChIKey: XOKNJAVPHRBBRO-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 140.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.96
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 134178326) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is XOKNJAVPHRBBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-12-5-19(26)29-13(2)17(12)11-28-22(32)23-31-30-20(34-23)8-14-6-15-9-16(25)10-27-21(15)18(7-14)24(3,4)33/h5-7,9-10,33H,8,11H2,1-4H3,(H2,26,29)(H,28,32).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 134178326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).