3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide

C20H23N5O — CID 96504030

IUPAC3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)NC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C20H23N5O/c26-20(10-14-24-13-9-16-5-1-2-7-18(16)24)21-15-17-6-4-12-25(17)19-8-3-11-22-23-19/h1-3,5,7-9,11,13,17H,4,6,10,12,14-15H2,(H,21,26)/t17-/m0/s1
InChIKeyLABWQLXXYZKAOS-KRWDZBQOSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds6

About 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide

3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 96504030) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
PubChem CID96504030
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)NC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C20H23N5O/c26-20(10-14-24-13-9-16-5-1-2-7-18(16)24)21-15-17-6-4-12-25(17)19-8-3-11-22-23-19/h1-3,5,7-9,11,13,17H,4,6,10,12,14-15H2,(H,21,26)/t17-/m0/s1
InChIKeyLABWQLXXYZKAOS-KRWDZBQOSA-N
XLogP2.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
3-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 119890453
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
(2S,4S)-2-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120637035
N-(1-adamantylmethyl)-3-indol-1-ylpropanamide
CID 27514459
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide
CID 51219431

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide (CID 96504030) is 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide is O=C(CCn1ccc2ccccc21)NC[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is LABWQLXXYZKAOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(10-14-24-13-9-16-5-1-2-7-18(16)24)21-15-17-6-4-12-25(17)19-8-3-11-22-23-19/h1-3,5,7-9,11,13,17H,4,6,10,12,14-15H2,(H,21,26)/t17-/m0/s1.
What are the key properties of 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 96504030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).