N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

C15H21N3OS — CID 86920911

IUPACN-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCCC(C)NC(=O)CSCc1cn2cc(C)ccc2n1
InChIInChI=1S/C15H21N3OS/c1-4-12(3)16-15(19)10-20-9-13-8-18-7-11(2)5-6-14(18)17-13/h5-8,12H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyNOKBKODGGZEMNU-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.79
Rot. Bonds6

About N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (PubChem CID 86920911) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
PubChem CID86920911
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCCC(C)NC(=O)CSCc1cn2cc(C)ccc2n1
InChIInChI=1S/C15H21N3OS/c1-4-12(3)16-15(19)10-20-9-13-8-18-7-11(2)5-6-14(18)17-13/h5-8,12H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyNOKBKODGGZEMNU-UHFFFAOYSA-N
XLogP2.79
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (CID 86920911) is N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is CCC(C)NC(=O)CSCc1cn2cc(C)ccc2n1.
What is the InChIKey of N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The InChIKey is NOKBKODGGZEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-12(3)16-15(19)10-20-9-13-8-18-7-11(2)5-6-14(18)17-13/h5-8,12H,4,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 86920911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).