N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C29H37N7O2 — CID 121435010

About N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 121435010) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• PubChem CID: 121435010
• Molecular Formula: C29H37N7O2
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.30
• IUPAC Name: N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• SMILES: CC(C)C(=O)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1
• InChI: InChI=1S/C29H37N7O2/c1-20(2)27(37)35-18-11-21(12-19-35)25-6-5-15-36-26(25)31-29(32-36)30-23-9-7-22(8-10-23)28(38)34(4)24-13-16-33(3)17-14-24/h5-11,15,20,24H,12-14,16-19H2,1-4H3,(H,30,32)
• InChIKey: ZGCICMXVPOBMOE-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 86.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 121435010) is N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CC(C)C(=O)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.

What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

The InChIKey is ZGCICMXVPOBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-20(2)27(37)35-18-11-21(12-19-35)25-6-5-15-36-26(25)31-29(32-36)30-23-9-7-22(8-10-23)28(38)34(4)24-13-16-33(3)17-14-24/h5-11,15,20,24H,12-14,16-19H2,1-4H3,(H,30,32).

What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?

N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 515.66 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 121435010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).