N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C18H21N5O3S — CID 51268666

IUPACN-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)C(C)NC(=O)c1ccco1)c1nnc2ccccn12
InChIInChI=1S/C18H21N5O3S/c1-12(19-18(25)14-6-5-10-26-14)17(24)20-13(8-11-27-2)16-22-21-15-7-3-4-9-23(15)16/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyQUFALOPCXZNAOD-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.05
Rot. Bonds8

About N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 51268666) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID51268666
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)C(C)NC(=O)c1ccco1)c1nnc2ccccn12
InChIInChI=1S/C18H21N5O3S/c1-12(19-18(25)14-6-5-10-26-14)17(24)20-13(8-11-27-2)16-22-21-15-7-3-4-9-23(15)16/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyQUFALOPCXZNAOD-UHFFFAOYSA-N
XLogP2.05
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 125433752
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
5-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 55940462
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 99783852
3-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]but-2-enamide
CID 55535631
5-(2-chlorophenyl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 71828107
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-propan-2-ylindole-4-carboxamide
CID 125372205
2-(4-aminophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide;dihydrochloride
CID 119837153
4-chloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-2-carboxamide
CID 86912959

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 51268666) is N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)C(C)NC(=O)c1ccco1)c1nnc2ccccn12.
What is the InChIKey of N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is QUFALOPCXZNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12(19-18(25)14-6-5-10-26-14)17(24)20-13(8-11-27-2)16-22-21-15-7-3-4-9-23(15)16/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51268666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).