N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide

C21H22N4O — CID 166951673

IUPACN-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide
SMILESCCC(=O)Nc1c[nH]c2ccc(C3=CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C21H22N4O/c1-2-21(26)24-19-14-23-18-7-6-16(13-17(18)19)15-8-11-25(12-9-15)20-5-3-4-10-22-20/h3-8,10,13-14,23H,2,9,11-12H2,1H3,(H,24,26)
InChIKeyCCWAFKDRUQWJLC-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.21
Rot. Bonds4

About N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide

N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide (PubChem CID 166951673) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide
PubChem CID166951673
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide
SMILESCCC(=O)Nc1c[nH]c2ccc(C3=CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C21H22N4O/c1-2-21(26)24-19-14-23-18-7-6-16(13-17(18)19)15-8-11-25(12-9-15)20-5-3-4-10-22-20/h3-8,10,13-14,23H,2,9,11-12H2,1H3,(H,24,26)
InChIKeyCCWAFKDRUQWJLC-UHFFFAOYSA-N
XLogP4.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide with MolForge

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Related Compounds

1-methyl-3-[5-(2-piperidin-1-yl-4-pyridinyl)-1H-indol-3-yl]urea
CID 164574057
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 133277066
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
CID 70105932
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-quinolin-5-ylacetamide
CID 24682364
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175223721
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide (CID 166951673) is N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide is CCC(=O)Nc1c[nH]c2ccc(C3=CCN(c4ccccn4)CC3)cc12.
What is the InChIKey of N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide?
The InChIKey is CCWAFKDRUQWJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-21(26)24-19-14-23-18-7-6-16(13-17(18)19)15-8-11-25(12-9-15)20-5-3-4-10-22-20/h3-8,10,13-14,23H,2,9,11-12H2,1H3,(H,24,26).
What are the key properties of N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide?
N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-pyridin-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 166951673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).