4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide

C15H22ClN3O2S — CID 167959848

IUPAC4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide
SMILESCOC1(CNC(=O)CCCc2ccc(Cl)nn2)CCCSC1
InChIInChI=1S/C15H22ClN3O2S/c1-21-15(8-3-9-22-11-15)10-17-14(20)5-2-4-12-6-7-13(16)19-18-12/h6-7H,2-5,8-11H2,1H3,(H,17,20)
InChIKeyBUCPNKQOWIRMCE-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.48
Rot. Bonds7

About 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide

4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide (PubChem CID 167959848) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide
PubChem CID167959848
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide
SMILESCOC1(CNC(=O)CCCc2ccc(Cl)nn2)CCCSC1
InChIInChI=1S/C15H22ClN3O2S/c1-21-15(8-3-9-22-11-15)10-17-14(20)5-2-4-12-6-7-13(16)19-18-12/h6-7H,2-5,8-11H2,1H3,(H,17,20)
InChIKeyBUCPNKQOWIRMCE-UHFFFAOYSA-N
XLogP2.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584319
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-N'-pyridin-3-yloxamide
CID 97414759
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584533
2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 71804831
N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
CID 90584231
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide (CID 167959848) is 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide is COC1(CNC(=O)CCCc2ccc(Cl)nn2)CCCSC1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide?
The InChIKey is BUCPNKQOWIRMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c1-21-15(8-3-9-22-11-15)10-17-14(20)5-2-4-12-6-7-13(16)19-18-12/h6-7H,2-5,8-11H2,1H3,(H,17,20).
What are the key properties of 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide?
4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide has a molecular weight of 343.88 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-N-[(3-methoxythian-3-yl)methyl]butanamide is sourced from PubChem (CID 167959848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).