3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

C22H26N6O2 — CID 95834999

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 95834999) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 95834999
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(C(=O)CCc3nc(C)no3)C2)n1
• InChI: InChI=1S/C22H26N6O2/c1-15-12-18(26-20-7-3-4-10-23-20)13-19(24-15)17-6-5-11-28(14-17)22(29)9-8-21-25-16(2)27-30-21/h3-4,7,10,12-13,17H,5-6,8-9,11,14H2,1-2H3,(H,23,24,26)/t17-/m0/s1
• InChIKey: KCONFNHNCJOFQO-KRWDZBQOSA-N
• XLogP: 3.56
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 95834999) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(C(=O)CCc3nc(C)no3)C2)n1.

What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is KCONFNHNCJOFQO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-12-18(26-20-7-3-4-10-23-20)13-19(24-15)17-6-5-11-28(14-17)22(29)9-8-21-25-16(2)27-30-21/h3-4,7,10,12-13,17H,5-6,8-9,11,14H2,1-2H3,(H,23,24,26)/t17-/m0/s1.

What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95834999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).