N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C18H22N6O5S — CID 167548809

IUPACN-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCS(=O)(=O)CC1)NCC(=O)c1cccc2nc(NC(=O)C3CC3)nn12
InChIInChI=1S/C18H22N6O5S/c25-14(10-19-16(26)11-23-6-8-30(28,29)9-7-23)13-2-1-3-15-20-18(22-24(13)15)21-17(27)12-4-5-12/h1-3,12H,4-11H2,(H,19,26)(H,21,22,27)
InChIKeyVMWWEMXDNKVJRT-UHFFFAOYSA-N
MW434.48 g/mol
LogP-0.89
Rot. Bonds7

About N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 167548809) has the molecular formula C18H22N6O5S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID167548809
Molecular FormulaC18H22N6O5S
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC NameN-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCS(=O)(=O)CC1)NCC(=O)c1cccc2nc(NC(=O)C3CC3)nn12
InChIInChI=1S/C18H22N6O5S/c25-14(10-19-16(26)11-23-6-8-30(28,29)9-7-23)13-2-1-3-15-20-18(22-24(13)15)21-17(27)12-4-5-12/h1-3,12H,4-11H2,(H,19,26)(H,21,22,27)
InChIKeyVMWWEMXDNKVJRT-UHFFFAOYSA-N
XLogP-0.89
TPSA142.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374815
N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 145977126
Cyclopropanecarboxylic acid (5-{4-[2-(1,1-dioxo-thiomorpholin-4-yl)-2-oxo-ethyl]-phenyl}-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide
CID 58374636
4-[2-(Cyclopropanecarbonyl-amino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1,1-dioxo-tetrahydrothiophen-3-yl)-N-methyl-benzamide
CID 67329323
2-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 145972565
N-[5-[4-(thiomorpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67523050
3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 68261638
[4-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 68782345
N-ethyl-2-(ethylsulfonylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 68839850
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 90723785
3-(benzenesulfonyl)-N,5-dimethyl-2-(methylamino)-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 121336379
3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 130452037

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 167548809) is N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(CN1CCS(=O)(=O)CC1)NCC(=O)c1cccc2nc(NC(=O)C3CC3)nn12.
What is the InChIKey of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VMWWEMXDNKVJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O5S/c25-14(10-19-16(26)11-23-6-8-30(28,29)9-7-23)13-2-1-3-15-20-18(22-24(13)15)21-17(27)12-4-5-12/h1-3,12H,4-11H2,(H,19,26)(H,21,22,27).
What are the key properties of N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 434.48 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]acetyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167548809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).