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

C18H18N4O — CID 113009220

IUPACN-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(NC2CC2)nc1
InChIInChI=1S/C18H18N4O/c23-18(9-12-10-19-16-4-2-1-3-15(12)16)22-14-7-8-17(20-11-14)21-13-5-6-13/h1-4,7-8,10-11,13,19H,5-6,9H2,(H,20,21)(H,22,23)
InChIKeyKUXGRBHDDLCDED-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.32
Rot. Bonds5

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

N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113009220) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113009220
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(NC2CC2)nc1
InChIInChI=1S/C18H18N4O/c23-18(9-12-10-19-16-4-2-1-3-15(12)16)22-14-7-8-17(20-11-14)21-13-5-6-13/h1-4,7-8,10-11,13,19H,5-6,9H2,(H,20,21)(H,22,23)
InChIKeyKUXGRBHDDLCDED-UHFFFAOYSA-N
XLogP3.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113017273
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 28901497
N-[6-(2-ethoxyanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113019606
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
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

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide (CID 113009220) is N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(NC2CC2)nc1.
What is the InChIKey of N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is KUXGRBHDDLCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(9-12-10-19-16-4-2-1-3-15(12)16)22-14-7-8-17(20-11-14)21-13-5-6-13/h1-4,7-8,10-11,13,19H,5-6,9H2,(H,20,21)(H,22,23).
What are the key properties of N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113009220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).