5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid

C15H13N3O3 — CID 80563548

IUPAC5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)C2CNc3ccccc32)c1
InChIInChI=1S/C15H13N3O3/c19-14(12-8-17-13-4-2-1-3-11(12)13)18-10-5-9(15(20)21)6-16-7-10/h1-7,12,17H,8H2,(H,18,19)(H,20,21)
InChIKeyCTSIEVGFCHUYDF-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.93
Rot. Bonds3

About 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid

5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 80563548) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
PubChem CID80563548
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)C2CNc3ccccc32)c1
InChIInChI=1S/C15H13N3O3/c19-14(12-8-17-13-4-2-1-3-11(12)13)18-10-5-9(15(20)21)6-16-7-10/h1-7,12,17H,8H2,(H,18,19)(H,20,21)
InChIKeyCTSIEVGFCHUYDF-UHFFFAOYSA-N
XLogP1.93
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 114387742
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564486
N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107611758
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566104

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid (CID 80563548) is 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)C2CNc3ccccc32)c1.
What is the InChIKey of 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is CTSIEVGFCHUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(12-8-17-13-4-2-1-3-11(12)13)18-10-5-9(15(20)21)6-16-7-10/h1-7,12,17H,8H2,(H,18,19)(H,20,21).
What are the key properties of 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid?
5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 80563548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).