3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide

C20H24N4O2 — CID 46985288

IUPAC3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCCCOc2cccnc2)c2ccccc21
InChIInChI=1S/C20H24N4O2/c21-20(25)8-11-24-15-16(18-6-1-2-7-19(18)24)13-22-10-4-12-26-17-5-3-9-23-14-17/h1-3,5-7,9,14-15,22H,4,8,10-13H2,(H2,21,25)
InChIKeyCOVMGTTWHTVWGC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.47
Rot. Bonds10

About 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide

3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide (PubChem CID 46985288) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
PubChem CID46985288
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCCCOc2cccnc2)c2ccccc21
InChIInChI=1S/C20H24N4O2/c21-20(25)8-11-24-15-16(18-6-1-2-7-19(18)24)13-22-10-4-12-26-17-5-3-9-23-14-17/h1-3,5-7,9,14-15,22H,4,8,10-13H2,(H2,21,25)
InChIKeyCOVMGTTWHTVWGC-UHFFFAOYSA-N
XLogP2.47
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
CID 65072333
2-[3-[(pyridin-3-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535946
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide (CID 46985288) is 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide is NC(=O)CCn1cc(CNCCCOc2cccnc2)c2ccccc21.
What is the InChIKey of 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide?
The InChIKey is COVMGTTWHTVWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-20(25)8-11-24-15-16(18-6-1-2-7-19(18)24)13-22-10-4-12-26-17-5-3-9-23-14-17/h1-3,5-7,9,14-15,22H,4,8,10-13H2,(H2,21,25).
What are the key properties of 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide?
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46985288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).