N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide

C21H24N4O2 — CID 113028924

IUPACN-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)C1CCOCC1
InChIInChI=1S/C21H24N4O2/c26-21(15-8-11-27-12-9-15)25-20-6-5-17(14-24-20)22-10-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,13-15,22-23H,7-12H2,(H,24,25,26)
InChIKeyHSHISZVJDJUQKC-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.58
Rot. Bonds6

About N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide

N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113028924) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
PubChem CID113028924
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)C1CCOCC1
InChIInChI=1S/C21H24N4O2/c26-21(15-8-11-27-12-9-15)25-20-6-5-17(14-24-20)22-10-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,13-15,22-23H,7-12H2,(H,24,25,26)
InChIKeyHSHISZVJDJUQKC-UHFFFAOYSA-N
XLogP3.58
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide
CID 176910364
1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113013854
5-[2-(1H-indol-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109193598
N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
CID 113013820
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide
CID 112983418
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide (CID 113028924) is N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(NCCc2c[nH]c3ccccc23)cn1)C1CCOCC1.
What is the InChIKey of N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is HSHISZVJDJUQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21(15-8-11-27-12-9-15)25-20-6-5-17(14-24-20)22-10-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,13-15,22-23H,7-12H2,(H,24,25,26).
What are the key properties of N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide?
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113028924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).