N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine

C20H25FN4 — CID 167070599

IUPACN'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine
SMILESNCCCCCN(Cc1ccnc(F)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H25FN4/c21-20-12-16(8-10-23-20)14-25(11-5-1-4-9-22)15-17-13-24-19-7-3-2-6-18(17)19/h2-3,6-8,10,12-13,24H,1,4-5,9,11,14-15,22H2
InChIKeyBUWSRHNQPYUZQG-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.83
Rot. Bonds9

About N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine

N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine (PubChem CID 167070599) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine
PubChem CID167070599
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC NameN'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine
SMILESNCCCCCN(Cc1ccnc(F)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H25FN4/c21-20-12-16(8-10-23-20)14-25(11-5-1-4-9-22)15-17-13-24-19-7-3-2-6-18(17)19/h2-3,6-8,10,12-13,24H,1,4-5,9,11,14-15,22H2
InChIKeyBUWSRHNQPYUZQG-UHFFFAOYSA-N
XLogP3.83
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine
CID 163299219
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
N-cyclohexyl-N'-[(6-fluoro-2-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)-N-methylpentane-1,5-diamine
CID 167070651
N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide
CID 163299276
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 53494673
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
CID 71677029
N'-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-[(6-fluoro-3-pyridinyl)methyl]pentane-1,5-diamine
CID 170541756
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
N-benzyl-N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 126495191

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine (CID 167070599) is N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine is NCCCCCN(Cc1ccnc(F)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine?
The InChIKey is BUWSRHNQPYUZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c21-20-12-16(8-10-23-20)14-25(11-5-1-4-9-22)15-17-13-24-19-7-3-2-6-18(17)19/h2-3,6-8,10,12-13,24H,1,4-5,9,11,14-15,22H2.
What are the key properties of N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine?
N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine has a molecular weight of 340.45 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 167070599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).