3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide

C16H22N4O3S — CID 125158016

IUPAC3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
SMILESCN(CCC(=O)NCc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N4O3S/c1-19(14-6-9-24(22,23)12-14)8-5-16(21)17-10-13-11-18-20-7-3-2-4-15(13)20/h2-4,7,11,14H,5-6,8-10,12H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyTXNMUPGVDUXFNQ-AWEZNQCLSA-N
MW350.44 g/mol
LogP0.46
Rot. Bonds6

About 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide

3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide (PubChem CID 125158016) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
PubChem CID125158016
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
SMILESCN(CCC(=O)NCc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N4O3S/c1-19(14-6-9-24(22,23)12-14)8-5-16(21)17-10-13-11-18-20-7-3-2-4-15(13)20/h2-4,7,11,14H,5-6,8-10,12H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyTXNMUPGVDUXFNQ-AWEZNQCLSA-N
XLogP0.46
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide
CID 91833718
(3S)-1,1-dioxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thian-3-amine
CID 164633540
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 118769892
3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 125159003
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 86991683
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026818
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(6-methyl-2-pyridinyl)ethyl]propanamide
CID 90650948
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 91830339

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide (CID 125158016) is 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide is CN(CCC(=O)NCc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is TXNMUPGVDUXFNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-19(14-6-9-24(22,23)12-14)8-5-16(21)17-10-13-11-18-20-7-3-2-4-15(13)20/h2-4,7,11,14H,5-6,8-10,12H2,1H3,(H,17,21)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide?
3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 350.44 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 125158016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).