2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide

C28H30Cl2N4O4 — CID 75237780

About 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide

2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 75237780) has the molecular formula C28H30Cl2N4O4 and a molecular weight of 557.48 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 75237780
• Molecular Formula: C28H30Cl2N4O4
• Molecular Weight: 557.48 g/mol
• Exact Mass: 556.16
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
• SMILES: CN1CCC(NC(=O)C(COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C28H30Cl2N4O4/c1-34-14-11-21(12-15-34)32-27(36)24(18-37-17-19-6-3-2-4-7-19)33-26(35)22-8-5-13-31-28(22)38-25-10-9-20(29)16-23(25)30/h2-10,13,16,21,24H,11-12,14-15,17-18H2,1H3,(H,32,36)(H,33,35)
• InChIKey: IJILXYSXTMZTTM-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.48
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide (CID 75237780) is 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide is CN1CCC(NC(=O)C(COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?

The InChIKey is IJILXYSXTMZTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O4/c1-34-14-11-21(12-15-34)32-27(36)24(18-37-17-19-6-3-2-4-7-19)33-26(35)22-8-5-13-31-28(22)38-25-10-9-20(29)16-23(25)30/h2-10,13,16,21,24H,11-12,14-15,17-18H2,1H3,(H,32,36)(H,33,35).

What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?

2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 557.48 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 75237780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).