N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide

C15H16N4O2S — CID 6626007

IUPACN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nc2ncccc2[nH]1)C(=O)NCc1ccco1
InChIInChI=1S/C15H16N4O2S/c1-2-12(14(20)17-9-10-5-4-8-21-10)22-15-18-11-6-3-7-16-13(11)19-15/h3-8,12H,2,9H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyJLAJPYGHDNEFSZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.74
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide

N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide (PubChem CID 6626007) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
PubChem CID6626007
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCCC(Sc1nc2ncccc2[nH]1)C(=O)NCc1ccco1
InChIInChI=1S/C15H16N4O2S/c1-2-12(14(20)17-9-10-5-4-8-21-10)22-15-18-11-6-3-7-16-13(11)19-15/h3-8,12H,2,9H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyJLAJPYGHDNEFSZ-UHFFFAOYSA-N
XLogP2.74
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide (CID 6626007) is N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide is CCC(Sc1nc2ncccc2[nH]1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is JLAJPYGHDNEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-12(14(20)17-9-10-5-4-8-21-10)22-15-18-11-6-3-7-16-13(11)19-15/h3-8,12H,2,9H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 316.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 6626007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).