N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C12H11ClN4O2S — CID 135473409

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H11ClN4O2S/c1-7-4-10(18)17-12(15-7)20-6-11(19)16-9-3-2-8(13)5-14-9/h2-5H,6H2,1H3,(H,14,16,19)(H,15,17,18)
InChIKeySAEJKXVAJMDGMQ-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.86
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135473409) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135473409
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H11ClN4O2S/c1-7-4-10(18)17-12(15-7)20-6-11(19)16-9-3-2-8(13)5-14-9/h2-5H,6H2,1H3,(H,14,16,19)(H,15,17,18)
InChIKeySAEJKXVAJMDGMQ-UHFFFAOYSA-N
XLogP1.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetamido-5-chloropyridine
CID 798653
2-(4-acetamidophenyl)sulfanyl-N-(5-chloropyridin-2-yl)acetamide
CID 2100279
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
2-(4-Amino-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-(2-chloro-pyridin-3-yl)-acetamide
CID 135401612
N-(5-chloropyridin-2-yl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135468959
N-(5-Chloro-2-pyridinyl)-3-oxobutanamide
CID 811631
N-(5-Chloro-2-pyridinyl)-2-[(4-methyl-4H-1,2,4-triazol-3-YL)sulfanyl]acetamide
CID 672455
N-[(5-chloropyridin-2-yl)carbamothioyl]butanamide
CID 823792
N-(5-chloropyridin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 974456
N-(5-chloropyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2125057
N-(5-chloropyridin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
CID 2890968
3-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)propanamide
CID 3163448

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135473409) is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is SAEJKXVAJMDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-7-4-10(18)17-12(15-7)20-6-11(19)16-9-3-2-8(13)5-14-9/h2-5H,6H2,1H3,(H,14,16,19)(H,15,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 310.77 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135473409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).