N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide

C21H17ClN4O — CID 113018608

IUPACN-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C21H17ClN4O/c22-15-5-7-16(8-6-15)25-20-10-9-17(13-24-20)26-21(27)11-14-12-23-19-4-2-1-3-18(14)19/h1-10,12-13,23H,11H2,(H,24,25)(H,26,27)
InChIKeyMCOSDCWYTFDZDE-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.14
Rot. Bonds5

About N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide

N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113018608) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113018608
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C21H17ClN4O/c22-15-5-7-16(8-6-15)25-20-10-9-17(13-24-20)26-21(27)11-14-12-23-19-4-2-1-3-18(14)19/h1-10,12-13,23H,11H2,(H,24,25)(H,26,27)
InChIKeyMCOSDCWYTFDZDE-UHFFFAOYSA-N
XLogP5.14
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113017273
N-[6-(2-ethoxyanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113019606
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 28901497
2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315814
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
2-(1H-indol-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990361

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide (CID 113018608) is N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is MCOSDCWYTFDZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-15-5-7-16(8-6-15)25-20-10-9-17(13-24-20)26-21(27)11-14-12-23-19-4-2-1-3-18(14)19/h1-10,12-13,23H,11H2,(H,24,25)(H,26,27).
What are the key properties of N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 376.85 g/mol, XLogP of 5.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113018608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).