4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide

C22H26N4O2 — CID 38541510

IUPAC4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C22H26N4O2/c27-21(9-3-5-17-15-24-20-8-2-1-7-19(17)20)25-16-18-6-4-10-23-22(18)26-11-13-28-14-12-26/h1-2,4,6-8,10,15,24H,3,5,9,11-14,16H2,(H,25,27)
InChIKeyNSJYHGHAHATJPX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.04
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide

4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide (PubChem CID 38541510) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
PubChem CID38541510
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C22H26N4O2/c27-21(9-3-5-17-15-24-20-8-2-1-7-19(17)20)25-16-18-6-4-10-23-22(18)26-11-13-28-14-12-26/h1-2,4,6-8,10,15,24H,3,5,9,11-14,16H2,(H,25,27)
InChIKeyNSJYHGHAHATJPX-UHFFFAOYSA-N
XLogP3.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide with MolForge

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Related Compounds

2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 56746946
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 39173364
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 55830826
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
CID 20968974
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111973598

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide (CID 38541510) is 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is NSJYHGHAHATJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(9-3-5-17-15-24-20-8-2-1-7-19(17)20)25-16-18-6-4-10-23-22(18)26-11-13-28-14-12-26/h1-2,4,6-8,10,15,24H,3,5,9,11-14,16H2,(H,25,27).
What are the key properties of 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 378.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 38541510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).