3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide

C20H24N4O — CID 46987148

IUPAC3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCCCc2ccncc2)c2ccccc21
InChIInChI=1S/C20H24N4O/c21-20(25)9-13-24-15-17(18-5-1-2-6-19(18)24)14-23-10-3-4-16-7-11-22-12-8-16/h1-2,5-8,11-12,15,23H,3-4,9-10,13-14H2,(H2,21,25)
InChIKeyVPNIPGWVBPECAO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.63
Rot. Bonds9

About 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide

3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide (PubChem CID 46987148) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
PubChem CID46987148
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCCCc2ccncc2)c2ccccc21
InChIInChI=1S/C20H24N4O/c21-20(25)9-13-24-15-17(18-5-1-2-6-19(18)24)14-23-10-3-4-16-7-11-22-12-8-16/h1-2,5-8,11-12,15,23H,3-4,9-10,13-14H2,(H2,21,25)
InChIKeyVPNIPGWVBPECAO-UHFFFAOYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
CID 66408219
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
3-[3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]indol-1-yl]propanamide
CID 46983716
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
CID 65072333
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide (CID 46987148) is 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide is NC(=O)CCn1cc(CNCCCc2ccncc2)c2ccccc21.
What is the InChIKey of 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide?
The InChIKey is VPNIPGWVBPECAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c21-20(25)9-13-24-15-17(18-5-1-2-6-19(18)24)14-23-10-3-4-16-7-11-22-12-8-16/h1-2,5-8,11-12,15,23H,3-4,9-10,13-14H2,(H2,21,25).
What are the key properties of 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide?
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46987148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).