2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide

C16H18ClN5O — CID 155568411

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cn2)CC1)Nc1cccnc1
InChIInChI=1S/C16H18ClN5O/c17-13-3-4-15(19-10-13)22-8-6-21(7-9-22)12-16(23)20-14-2-1-5-18-11-14/h1-5,10-11H,6-9,12H2,(H,20,23)
InChIKeyITYRVEDPENLOKE-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 155568411) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID155568411
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cn2)CC1)Nc1cccnc1
InChIInChI=1S/C16H18ClN5O/c17-13-3-4-15(19-10-13)22-8-6-21(7-9-22)12-16(23)20-14-2-1-5-18-11-14/h1-5,10-11H,6-9,12H2,(H,20,23)
InChIKeyITYRVEDPENLOKE-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide (CID 155568411) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide is O=C(CN1CCN(c2ccc(Cl)cn2)CC1)Nc1cccnc1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is ITYRVEDPENLOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-13-3-4-15(19-10-13)22-8-6-21(7-9-22)12-16(23)20-14-2-1-5-18-11-14/h1-5,10-11H,6-9,12H2,(H,20,23).
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 331.81 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 155568411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).