2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid

C20H26N6O2 — CID 142786606

IUPAC2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccnc(NC3CCNCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C20H26N6O2/c27-20(28)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-1-6-23-18(12-14)24-16-2-4-21-5-3-16/h1,6,11-13,16,21-22H,2-5,7-10H2,(H,23,24)(H,27,28)
InChIKeyXPQFSOSZGBAMKW-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.42
Rot. Bonds5

About 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid

2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 142786606) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
PubChem CID142786606
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccnc(NC3CCNCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C20H26N6O2/c27-20(28)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-1-6-23-18(12-14)24-16-2-4-21-5-3-16/h1,6,11-13,16,21-22H,2-5,7-10H2,(H,23,24)(H,27,28)
InChIKeyXPQFSOSZGBAMKW-UHFFFAOYSA-N
XLogP1.42
TPSA102.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid (CID 142786606) is 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccnc(NC3CCNCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is XPQFSOSZGBAMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-20(28)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-1-6-23-18(12-14)24-16-2-4-21-5-3-16/h1,6,11-13,16,21-22H,2-5,7-10H2,(H,23,24)(H,27,28).
What are the key properties of 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid?
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 382.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 142786606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).