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

C24H31FN4 — CID 163299219

IUPACN-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine
SMILESFc1ncccc1CN(CCCCNC1CCCC1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H31FN4/c25-24-19(8-7-14-27-24)17-29(15-6-5-13-26-21-9-1-2-10-21)18-20-16-28-23-12-4-3-11-22(20)23/h3-4,7-8,11-12,14,16,21,26,28H,1-2,5-6,9-10,13,15,17-18H2
InChIKeyKKIZDMKCLNMNPF-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.02
Rot. Bonds10

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

N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine (PubChem CID 163299219) has the molecular formula C24H31FN4 and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine
PubChem CID163299219
Molecular FormulaC24H31FN4
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC NameN-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine
SMILESFc1ncccc1CN(CCCCNC1CCCC1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H31FN4/c25-24-19(8-7-14-27-24)17-29(15-6-5-13-26-21-9-1-2-10-21)18-20-16-28-23-12-4-3-11-22(20)23/h3-4,7-8,11-12,14,16,21,26,28H,1-2,5-6,9-10,13,15,17-18H2
InChIKeyKKIZDMKCLNMNPF-UHFFFAOYSA-N
XLogP5.02
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine?
The IUPAC name of N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine (CID 163299219) is N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine is Fc1ncccc1CN(CCCCNC1CCCC1)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine?
The InChIKey is KKIZDMKCLNMNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4/c25-24-19(8-7-14-27-24)17-29(15-6-5-13-26-21-9-1-2-10-21)18-20-16-28-23-12-4-3-11-22(20)23/h3-4,7-8,11-12,14,16,21,26,28H,1-2,5-6,9-10,13,15,17-18H2.
What are the key properties of N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine?
N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine has a molecular weight of 394.54 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 163299219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).