1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C16H16Cl2N4O — CID 133359811

IUPAC1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-1-2-15(20-10-12)21-16(23)11-4-7-22(8-5-11)13-3-6-19-14(18)9-13/h1-3,6,9-11H,4-5,7-8H2,(H,20,21,23)
InChIKeyMRIRLKCAFDRYCN-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 133359811) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID133359811
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-1-2-15(20-10-12)21-16(23)11-4-7-22(8-5-11)13-3-6-19-14(18)9-13/h1-3,6,9-11H,4-5,7-8H2,(H,20,21,23)
InChIKeyMRIRLKCAFDRYCN-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 133359811) is 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is MRIRLKCAFDRYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-12-1-2-15(20-10-12)21-16(23)11-4-7-22(8-5-11)13-3-6-19-14(18)9-13/h1-3,6,9-11H,4-5,7-8H2,(H,20,21,23).
What are the key properties of 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133359811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).