4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide

C16H14ClN5O2S — CID 24687510

IUPAC4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide
SMILESCC(Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14ClN5O2S/c1-8(15(24)20-11-4-2-9(3-5-11)13(18)23)25-16-21-12-6-10(17)7-19-14(12)22-16/h2-8H,1H3,(H2,18,23)(H,20,24)(H,19,21,22)
InChIKeyHYBFUECISPKHCU-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.83
Rot. Bonds5

About 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide

4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide (PubChem CID 24687510) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide
PubChem CID24687510
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide
SMILESCC(Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14ClN5O2S/c1-8(15(24)20-11-4-2-9(3-5-11)13(18)23)25-16-21-12-6-10(17)7-19-14(12)22-16/h2-8H,1H3,(H2,18,23)(H,20,24)(H,19,21,22)
InChIKeyHYBFUECISPKHCU-UHFFFAOYSA-N
XLogP2.83
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide?
The IUPAC name of 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide (CID 24687510) is 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide is CC(Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide?
The InChIKey is HYBFUECISPKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-8(15(24)20-11-4-2-9(3-5-11)13(18)23)25-16-21-12-6-10(17)7-19-14(12)22-16/h2-8H,1H3,(H2,18,23)(H,20,24)(H,19,21,22).
What are the key properties of 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide?
4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide has a molecular weight of 375.84 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide is sourced from PubChem (CID 24687510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).