N-(5-pyridin-4-yl-2-pyridinyl)acetamide

C12H11N3O — CID 102057434

IUPACN-(5-pyridin-4-yl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(-c2ccncc2)cn1
InChIInChI=1S/C12H11N3O/c1-9(16)15-12-3-2-11(8-14-12)10-4-6-13-7-5-10/h2-8H,1H3,(H,14,15,16)
InChIKeyQHIXESKPPSHPSN-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.10
Rot. Bonds2

About N-(5-pyridin-4-yl-2-pyridinyl)acetamide

N-(5-pyridin-4-yl-2-pyridinyl)acetamide (PubChem CID 102057434) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-2-pyridinyl)acetamide
PubChem CID102057434
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(5-pyridin-4-yl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(-c2ccncc2)cn1
InChIInChI=1S/C12H11N3O/c1-9(16)15-12-3-2-11(8-14-12)10-4-6-13-7-5-10/h2-8H,1H3,(H,14,15,16)
InChIKeyQHIXESKPPSHPSN-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-2-pyridinyl)acetamide?
The IUPAC name of N-(5-pyridin-4-yl-2-pyridinyl)acetamide (CID 102057434) is N-(5-pyridin-4-yl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(5-pyridin-4-yl-2-pyridinyl)acetamide?
The canonical SMILES for N-(5-pyridin-4-yl-2-pyridinyl)acetamide is CC(=O)Nc1ccc(-c2ccncc2)cn1.
What is the InChIKey of N-(5-pyridin-4-yl-2-pyridinyl)acetamide?
The InChIKey is QHIXESKPPSHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9(16)15-12-3-2-11(8-14-12)10-4-6-13-7-5-10/h2-8H,1H3,(H,14,15,16).
What are the key properties of N-(5-pyridin-4-yl-2-pyridinyl)acetamide?
N-(5-pyridin-4-yl-2-pyridinyl)acetamide has a molecular weight of 213.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 102057434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).