4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide

C15H16ClN5O2 — CID 142622882

IUPAC4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cn1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H16ClN5O2/c16-11-1-4-14(18-9-11)20-5-7-21(8-6-20)15(23)19-13-3-2-12(22)10-17-13/h1-4,9-10,22H,5-8H2,(H,17,19,23)
InChIKeyAZMIHYKRHJFHBQ-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.19
Rot. Bonds2

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

4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 142622882) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
PubChem CID142622882
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cn1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H16ClN5O2/c16-11-1-4-14(18-9-11)20-5-7-21(8-6-20)15(23)19-13-3-2-12(22)10-17-13/h1-4,9-10,22H,5-8H2,(H,17,19,23)
InChIKeyAZMIHYKRHJFHBQ-UHFFFAOYSA-N
XLogP2.19
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide (CID 142622882) is 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(O)cn1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is AZMIHYKRHJFHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-11-1-4-14(18-9-11)20-5-7-21(8-6-20)15(23)19-13-3-2-12(22)10-17-13/h1-4,9-10,22H,5-8H2,(H,17,19,23).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 142622882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).