N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide

C24H30FN5O2 — CID 163299276

IUPACN-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide
SMILESO=C(NCCCCN(Cc1cccnc1F)Cc1c[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C24H30FN5O2/c25-23-19(6-5-10-26-23)17-29(18-20-16-28-22-8-2-1-7-21(20)22)11-4-3-9-27-24(31)30-12-14-32-15-13-30/h1-2,5-8,10,16,28H,3-4,9,11-15,17-18H2,(H,27,31)
InChIKeyKPNSYUMOVDELLJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.53
Rot. Bonds9

About N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide

N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide (PubChem CID 163299276) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide
PubChem CID163299276
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC NameN-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide
SMILESO=C(NCCCCN(Cc1cccnc1F)Cc1c[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C24H30FN5O2/c25-23-19(6-5-10-26-23)17-29(18-20-16-28-22-8-2-1-7-21(20)22)11-4-3-9-27-24(31)30-12-14-32-15-13-30/h1-2,5-8,10,16,28H,3-4,9,11-15,17-18H2,(H,27,31)
InChIKeyKPNSYUMOVDELLJ-UHFFFAOYSA-N
XLogP3.53
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-N'-[(2-fluoro-3-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)butane-1,4-diamine
CID 163299219
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 38541510
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 56746946
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
N-butyl-N-[2-[2-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]ethoxy]ethyl]cyclopentanamine
CID 167070551
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 119956298
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
N'-[(2-fluoro-4-pyridinyl)methyl]-N'-(1H-indol-3-ylmethyl)pentane-1,5-diamine
CID 167070599
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide (CID 163299276) is N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide is O=C(NCCCCN(Cc1cccnc1F)Cc1c[nH]c2ccccc12)N1CCOCC1.
What is the InChIKey of N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide?
The InChIKey is KPNSYUMOVDELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c25-23-19(6-5-10-26-23)17-29(18-20-16-28-22-8-2-1-7-21(20)22)11-4-3-9-27-24(31)30-12-14-32-15-13-30/h1-2,5-8,10,16,28H,3-4,9,11-15,17-18H2,(H,27,31).
What are the key properties of N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide?
N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluoro-3-pyridinyl)methyl-(1H-indol-3-ylmethyl)amino]butyl]morpholine-4-carboxamide is sourced from PubChem (CID 163299276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).