5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide

C16H14ClN3O3 — CID 44520844

IUPAC5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CO)nc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H14ClN3O3/c17-10-1-3-12-9(5-10)6-14(20-12)16(23)19-11-2-4-13(18-7-11)15(22)8-21/h1-7,15,20-22H,8H2,(H,19,23)
InChIKeyGFYOSCHAHROFSJ-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.49
Rot. Bonds4

About 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide

5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 44520844) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID44520844
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CO)nc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H14ClN3O3/c17-10-1-3-12-9(5-10)6-14(20-12)16(23)19-11-2-4-13(18-7-11)15(22)8-21/h1-7,15,20-22H,8H2,(H,19,23)
InChIKeyGFYOSCHAHROFSJ-UHFFFAOYSA-N
XLogP2.49
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide (CID 44520844) is 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(C(O)CO)nc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is GFYOSCHAHROFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-10-1-3-12-9(5-10)6-14(20-12)16(23)19-11-2-4-13(18-7-11)15(22)8-21/h1-7,15,20-22H,8H2,(H,19,23).
What are the key properties of 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide?
5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44520844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).