N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

C15H18N6OS — CID 95329111

IUPACN-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESCCc1nc2n(n1)C[C@H](NCC(=O)Nc1sccc1C#N)CC2
InChIInChI=1S/C15H18N6OS/c1-2-12-18-13-4-3-11(9-21(13)20-12)17-8-14(22)19-15-10(7-16)5-6-23-15/h5-6,11,17H,2-4,8-9H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeySOAUYZFOPMBKIO-LLVKDONJSA-N
MW330.42 g/mol
LogP1.32
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (PubChem CID 95329111) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
PubChem CID95329111
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESCCc1nc2n(n1)C[C@H](NCC(=O)Nc1sccc1C#N)CC2
InChIInChI=1S/C15H18N6OS/c1-2-12-18-13-4-3-11(9-21(13)20-12)17-8-14(22)19-15-10(7-16)5-6-23-15/h5-6,11,17H,2-4,8-9H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeySOAUYZFOPMBKIO-LLVKDONJSA-N
XLogP1.32
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide with MolForge

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Related Compounds

4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride
CID 56802843
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95322257
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026
2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 119126415
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]methyl]benzoic acid
CID 122002366
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
CID 56780086
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95328357

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (CID 95329111) is N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is CCc1nc2n(n1)C[C@H](NCC(=O)Nc1sccc1C#N)CC2.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The InChIKey is SOAUYZFOPMBKIO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-2-12-18-13-4-3-11(9-21(13)20-12)17-8-14(22)19-15-10(7-16)5-6-23-15/h5-6,11,17H,2-4,8-9H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide has a molecular weight of 330.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is sourced from PubChem (CID 95329111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).