N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H16N4O2S — CID 78901144

IUPACN-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NC3(C#N)CCSC3)c12
InChIInChI=1S/C16H16N4O2S/c1-9-13-11(14(21)19-16(7-17)4-5-23-8-16)6-12(10-2-3-10)18-15(13)22-20-9/h6,10H,2-5,8H2,1H3,(H,19,21)
InChIKeyREXDJRZQGINWBY-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.54
Rot. Bonds3

About N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78901144) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78901144
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NC3(C#N)CCSC3)c12
InChIInChI=1S/C16H16N4O2S/c1-9-13-11(14(21)19-16(7-17)4-5-23-8-16)6-12(10-2-3-10)18-15(13)22-20-9/h6,10H,2-5,8H2,1H3,(H,19,21)
InChIKeyREXDJRZQGINWBY-UHFFFAOYSA-N
XLogP2.54
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(1-carbamoylcyclohexyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78881320
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802
N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46587247
3-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]thiolane-3-carboxylic acid
CID 120531428
N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 71994980
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760
N-[2-(cyclopropanecarbonylamino)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322772
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide
CID 96534587
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
6-cyclopropyl-3-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315013

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78901144) is N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)NC3(C#N)CCSC3)c12.
What is the InChIKey of N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is REXDJRZQGINWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-13-11(14(21)19-16(7-17)4-5-23-8-16)6-12(10-2-3-10)18-15(13)22-20-9/h6,10H,2-5,8H2,1H3,(H,19,21).
What are the key properties of N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiolan-3-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78901144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).