N-pyridazin-3-yl-1H-indole-5-carboxamide

C13H10N4O — CID 115635745

IUPACN-pyridazin-3-yl-1H-indole-5-carboxamide
SMILESO=C(Nc1cccnn1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H10N4O/c18-13(16-12-2-1-6-15-17-12)10-3-4-11-9(8-10)5-7-14-11/h1-8,14H,(H,16,17,18)
InChIKeyBOKUOFZHPVCVGX-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.21
Rot. Bonds2

About N-pyridazin-3-yl-1H-indole-5-carboxamide

N-pyridazin-3-yl-1H-indole-5-carboxamide (PubChem CID 115635745) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-pyridazin-3-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-1H-indole-5-carboxamide
PubChem CID115635745
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-pyridazin-3-yl-1H-indole-5-carboxamide
SMILESO=C(Nc1cccnn1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H10N4O/c18-13(16-12-2-1-6-15-17-12)10-3-4-11-9(8-10)5-7-14-11/h1-8,14H,(H,16,17,18)
InChIKeyBOKUOFZHPVCVGX-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(2-cyanophenyl)-1H-indole-5-carboxamide
CID 63770547
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442
N-(3-methyl-4-pyridinyl)-1H-indole-5-carboxamide
CID 63719010
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-1H-indole-5-carboxamide?
The IUPAC name of N-pyridazin-3-yl-1H-indole-5-carboxamide (CID 115635745) is N-pyridazin-3-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-1H-indole-5-carboxamide is O=C(Nc1cccnn1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-pyridazin-3-yl-1H-indole-5-carboxamide?
The InChIKey is BOKUOFZHPVCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(16-12-2-1-6-15-17-12)10-3-4-11-9(8-10)5-7-14-11/h1-8,14H,(H,16,17,18).
What are the key properties of N-pyridazin-3-yl-1H-indole-5-carboxamide?
N-pyridazin-3-yl-1H-indole-5-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 115635745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).