6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid

C17H16N4O4 — CID 162672170

IUPAC6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid
SMILESCOc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)nc1
InChIInChI=1S/C17H16N4O4/c1-9(22)19-10-5-13-12(7-15(20-13)17(23)24)14(6-10)21-16-4-3-11(25-2)8-18-16/h3-8,20H,1-2H3,(H,18,21)(H,19,22)(H,23,24)
InChIKeyVNJGBDVVRPXBIT-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.97
Rot. Bonds5

About 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid

6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid (PubChem CID 162672170) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid
PubChem CID162672170
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid
SMILESCOc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)nc1
InChIInChI=1S/C17H16N4O4/c1-9(22)19-10-5-13-12(7-15(20-13)17(23)24)14(6-10)21-16-4-3-11(25-2)8-18-16/h3-8,20H,1-2H3,(H,18,21)(H,19,22)(H,23,24)
InChIKeyVNJGBDVVRPXBIT-UHFFFAOYSA-N
XLogP2.97
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid (CID 162672170) is 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid is COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)nc1.
What is the InChIKey of 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid?
The InChIKey is VNJGBDVVRPXBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-9(22)19-10-5-13-12(7-15(20-13)17(23)24)14(6-10)21-16-4-3-11(25-2)8-18-16/h3-8,20H,1-2H3,(H,18,21)(H,19,22)(H,23,24).
What are the key properties of 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid?
6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-4-[(5-methoxy-2-pyridinyl)amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 162672170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).