N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide

C15H16N4O3S — CID 118293550

IUPACN-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCC3)c2)ccn1
InChIInChI=1S/C15H16N4O3S/c1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)23(21,22)19-5-2-6-19/h3-4,7-10H,2,5-6H2,1H3,(H,17,18,20)
InChIKeyYLZMTGHVPQYQEP-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.50
Rot. Bonds4

About N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293550) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293550
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCC3)c2)ccn1
InChIInChI=1S/C15H16N4O3S/c1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)23(21,22)19-5-2-6-19/h3-4,7-10H,2,5-6H2,1H3,(H,17,18,20)
InChIKeyYLZMTGHVPQYQEP-UHFFFAOYSA-N
XLogP1.50
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238365
N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159265586
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
5-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 82222980
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293550) is N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCC3)c2)ccn1.
What is the InChIKey of N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is YLZMTGHVPQYQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)23(21,22)19-5-2-6-19/h3-4,7-10H,2,5-6H2,1H3,(H,17,18,20).
What are the key properties of N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 332.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).