1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid

About 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid

1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid (PubChem CID 158983237) has the molecular formula C32H36BCl3N8O4 and a molecular weight of 713.86 g/mol. Its IUPAC name is 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid.

Molecular Properties

Compound Name	1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid
PubChem CID	158983237
Molecular Formula	C32H36BCl3N8O4
Molecular Weight	713.86 g/mol
Exact Mass	712.20
IUPAC Name	1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid
SMILES	NC(=O)C1CCN(c2c(Cl)cncc2-c2ccncc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1ccncc1
InChI	InChI=1S/C16H17ClN4O.C11H13Cl2N3O.C5H6BNO2/c17-14-10-20-9-13(11-1-5-19-6-2-11)15(14)21-7-3-12(4-8-21)16(18)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-6(9)5-1-3-7-4-2-5/h1-2,5-6,9-10,12H,3-4,7-8H2,(H2,18,22);5-7H,1-4H2,(H2,14,17);1-4,8-9H
InChIKey	JPGIJAYJBIQDOE-UHFFFAOYSA-N
XLogP	3.35
TPSA	184.68 Å²
H-Bond Donors	4
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	48
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	713.86
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid?

The IUPAC name of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid (CID 158983237) is 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid.

What is the SMILES notation for 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid?

The canonical SMILES for 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccncc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1ccncc1.

What is the InChIKey of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid?

The InChIKey is JPGIJAYJBIQDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O.C11H13Cl2N3O.C5H6BNO2/c17-14-10-20-9-13(11-1-5-19-6-2-11)15(14)21-7-3-12(4-8-21)16(18)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-6(9)5-1-3-7-4-2-5/h1-2,5-6,9-10,12H,3-4,7-8H2,(H2,18,22);5-7H,1-4H2,(H2,14,17);1-4,8-9H.

What are the key properties of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid?

1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid has a molecular weight of 713.86 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid is sourced from PubChem (CID 158983237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).