(2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide

C16H22N4O2S — CID 91796522

IUPAC(2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NC(C)=O)C(=O)NCc1cnc2c(C)cccn12
InChIInChI=1S/C16H22N4O2S/c1-11-5-4-7-20-13(9-17-15(11)20)10-18-16(22)14(6-8-23-3)19-12(2)21/h4-5,7,9,14H,6,8,10H2,1-3H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyMRQMJFXWSARSTA-AWEZNQCLSA-N
MW334.45 g/mol
LogP1.52
Rot. Bonds7

About (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide

(2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 91796522) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID91796522
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NC(C)=O)C(=O)NCc1cnc2c(C)cccn12
InChIInChI=1S/C16H22N4O2S/c1-11-5-4-7-20-13(9-17-15(11)20)10-18-16(22)14(6-8-23-3)19-12(2)21/h4-5,7,9,14H,6,8,10H2,1-3H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyMRQMJFXWSARSTA-AWEZNQCLSA-N
XLogP1.52
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-acetamido-N-[(1-ethylpyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
CID 77098104
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(4-methylphenyl)propanediamide
CID 56738129
(3R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127546
(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide
CID 129418249
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 122568013
(2S)-2-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-4-methylsulfanylbutanamide
CID 91793555
ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 86817362
(3S)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 125442546
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 122565100
4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid
CID 122127689
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115651142
4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 70785195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide (CID 91796522) is (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide is CSCC[C@H](NC(C)=O)C(=O)NCc1cnc2c(C)cccn12.
What is the InChIKey of (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is MRQMJFXWSARSTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-5-4-7-20-13(9-17-15(11)20)10-18-16(22)14(6-8-23-3)19-12(2)21/h4-5,7,9,14H,6,8,10H2,1-3H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide?
(2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 334.45 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 91796522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).