N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide

C20H16ClN5O — CID 113047370

IUPACN-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C20H16ClN5O/c21-15-6-2-4-8-17(15)23-18-9-10-19(26-25-18)24-20(27)11-13-12-22-16-7-3-1-5-14(13)16/h1-10,12,22H,11H2,(H,23,25)(H,24,26,27)
InChIKeyFFBGEPYUNYMKFV-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.54
Rot. Bonds5

About N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide

N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113047370) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID113047370
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC NameN-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C20H16ClN5O/c21-15-6-2-4-8-17(15)23-18-9-10-19(26-25-18)24-20(27)11-13-12-22-16-7-3-1-5-14(13)16/h1-10,12,22H,11H2,(H,23,25)(H,24,26,27)
InChIKeyFFBGEPYUNYMKFV-UHFFFAOYSA-N
XLogP4.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 126852042
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide (CID 113047370) is N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccccc2Cl)nn1.
What is the InChIKey of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is FFBGEPYUNYMKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-15-6-2-4-8-17(15)23-18-9-10-19(26-25-18)24-20(27)11-13-12-22-16-7-3-1-5-14(13)16/h1-10,12,22H,11H2,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 377.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113047370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).