2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide

C18H20Cl3N5O3 — CID 87801635

About 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide

2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide (PubChem CID 87801635) has the molecular formula C18H20Cl3N5O3 and a molecular weight of 460.75 g/mol. Its IUPAC name is 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide
• PubChem CID: 87801635
• Molecular Formula: C18H20Cl3N5O3
• Molecular Weight: 460.75 g/mol
• Exact Mass: 459.06
• IUPAC Name: 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide
• SMILES: Cc1[nH]c(C(=O)NC2CCN(COc3cc(C(N)=O)cc(Cl)n3)CC2)c(Cl)c1Cl
• InChI: InChI=1S/C18H20Cl3N5O3/c1-9-14(20)15(21)16(23-9)18(28)24-11-2-4-26(5-3-11)8-29-13-7-10(17(22)27)6-12(19)25-13/h6-7,11,23H,2-5,8H2,1H3,(H2,22,27)(H,24,28)
• InChIKey: QPKDCMDANHTTIO-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 113.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.75
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide (CID 87801635) is 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide is Cc1[nH]c(C(=O)NC2CCN(COc3cc(C(N)=O)cc(Cl)n3)CC2)c(Cl)c1Cl.

What is the InChIKey of 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide?

The InChIKey is QPKDCMDANHTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N5O3/c1-9-14(20)15(21)16(23-9)18(28)24-11-2-4-26(5-3-11)8-29-13-7-10(17(22)27)6-12(19)25-13/h6-7,11,23H,2-5,8H2,1H3,(H2,22,27)(H,24,28).

What are the key properties of 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide?

2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide has a molecular weight of 460.75 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]methoxy]pyridine-4-carboxamide is sourced from PubChem (CID 87801635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).