N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide

C15H16N4O2 — CID 118249094

IUPACN-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NC(C)=O)c2)ccn1
InChIInChI=1S/C15H16N4O2/c1-9-14(18-10(2)20)6-13(8-17-9)12-4-5-16-15(7-12)19-11(3)21/h4-8H,1-3H3,(H,18,20)(H,16,19,21)
InChIKeyMPWSYKCEHWKOFS-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds3

About N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide

N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide (PubChem CID 118249094) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide
PubChem CID118249094
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NC(C)=O)c2)ccn1
InChIInChI=1S/C15H16N4O2/c1-9-14(18-10(2)20)6-13(8-17-9)12-4-5-16-15(7-12)19-11(3)21/h4-8H,1-3H3,(H,18,20)(H,16,19,21)
InChIKeyMPWSYKCEHWKOFS-UHFFFAOYSA-N
XLogP2.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide (CID 118249094) is N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NC(C)=O)c2)ccn1.
What is the InChIKey of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide?
The InChIKey is MPWSYKCEHWKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-14(18-10(2)20)6-13(8-17-9)12-4-5-16-15(7-12)19-11(3)21/h4-8H,1-3H3,(H,18,20)(H,16,19,21).
What are the key properties of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide?
N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 118249094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).