2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide

C22H25N5O — CID 126919251

IUPAC2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C22H25N5O/c28-22(10-17-12-23-20-8-4-2-6-18(17)20)24-11-15-13-27(14-15)21-9-16-5-1-3-7-19(16)25-26-21/h2,4,6,8-9,12,15,23H,1,3,5,7,10-11,13-14H2,(H,24,28)
InChIKeyWLJITEPPCOGKRG-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.63
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide

2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide (PubChem CID 126919251) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
PubChem CID126919251
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C22H25N5O/c28-22(10-17-12-23-20-8-4-2-6-18(17)20)24-11-15-13-27(14-15)21-9-16-5-1-3-7-19(16)25-26-21/h2,4,6,8-9,12,15,23H,1,3,5,7,10-11,13-14H2,(H,24,28)
InChIKeyWLJITEPPCOGKRG-UHFFFAOYSA-N
XLogP2.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 126918501
3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 126919277
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
CID 126939195
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
N-(1H-indol-3-ylmethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280202

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide (CID 126919251) is 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCC1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide?
The InChIKey is WLJITEPPCOGKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(10-17-12-23-20-8-4-2-6-18(17)20)24-11-15-13-27(14-15)21-9-16-5-1-3-7-19(16)25-26-21/h2,4,6,8-9,12,15,23H,1,3,5,7,10-11,13-14H2,(H,24,28).
What are the key properties of 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide?
2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 126919251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).