5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide

C19H21Cl2FN4O3 — CID 146458044

About 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide

5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 146458044) has the molecular formula C19H21Cl2FN4O3 and a molecular weight of 443.31 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
• PubChem CID: 146458044
• Molecular Formula: C19H21Cl2FN4O3
• Molecular Weight: 443.31 g/mol
• Exact Mass: 442.10
• IUPAC Name: 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
• SMILES: O=C(NN1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1)c1ccc(Cl)cn1
• InChI: InChI=1S/C19H21Cl2FN4O3/c20-13-1-4-18(23-10-13)19(28)24-26-7-5-25(6-8-26)11-14(27)12-29-15-2-3-16(21)17(22)9-15/h1-4,9-10,14,27H,5-8,11-12H2,(H,24,28)/t14-/m1/s1
• InChIKey: LJAHADUAPUKCDB-CQSZACIVSA-N
• XLogP: 2.23
• TPSA: 77.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.31
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide (CID 146458044) is 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide is O=C(NN1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1)c1ccc(Cl)cn1.

What is the InChIKey of 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide?

The InChIKey is LJAHADUAPUKCDB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21Cl2FN4O3/c20-13-1-4-18(23-10-13)19(28)24-26-7-5-25(6-8-26)11-14(27)12-29-15-2-3-16(21)17(22)9-15/h1-4,9-10,14,27H,5-8,11-12H2,(H,24,28)/t14-/m1/s1.

What are the key properties of 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide?

5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 443.31 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146458044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).