2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide

C18H20N4O — CID 113023581

IUPAC2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C18H20N4O/c1-12(2)21-14-7-8-17(20-11-14)22-18(23)9-13-10-19-16-6-4-3-5-15(13)16/h3-8,10-12,19,21H,9H2,1-2H3,(H,20,22,23)
InChIKeySXKJGTZRKRUMDP-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.56
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide

2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide (PubChem CID 113023581) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
PubChem CID113023581
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C18H20N4O/c1-12(2)21-14-7-8-17(20-11-14)22-18(23)9-13-10-19-16-6-4-3-5-15(13)16/h3-8,10-12,19,21H,9H2,1-2H3,(H,20,22,23)
InChIKeySXKJGTZRKRUMDP-UHFFFAOYSA-N
XLogP3.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.56
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-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
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-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113013854
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 28901497
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide (CID 113023581) is 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide is CC(C)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)nc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
The InChIKey is SXKJGTZRKRUMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)21-14-7-8-17(20-11-14)22-18(23)9-13-10-19-16-6-4-3-5-15(13)16/h3-8,10-12,19,21H,9H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113023581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).