1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide

C23H25N3O3 — CID 172672931

IUPAC1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C23H25N3O3/c1-14-6-9-26(10-7-15-13-24-18-5-3-2-4-16(15)18)23(28)21(14)22(27)25-19-12-20-17(19)8-11-29-20/h2-6,9,13,17,19-20,24H,7-8,10-12H2,1H3,(H,25,27)/t17-,19+,20+/m0/s1
InChIKeyIUDAJSICNKUCIW-DFQSSKMNSA-N
MW391.47 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide

1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide (PubChem CID 172672931) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
PubChem CID172672931
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C23H25N3O3/c1-14-6-9-26(10-7-15-13-24-18-5-3-2-4-16(15)18)23(28)21(14)22(27)25-19-12-20-17(19)8-11-29-20/h2-6,9,13,17,19-20,24H,7-8,10-12H2,1H3,(H,25,27)/t17-,19+,20+/m0/s1
InChIKeyIUDAJSICNKUCIW-DFQSSKMNSA-N
XLogP2.79
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
N-[[4-(hydroxymethyl)phenyl]methyl]-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 175641174
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411
N-(cyclopropylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172658576
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
CID 172657082
1-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]piperidine-4-carbonitrile
CID 172667155
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
CID 172660787
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172658963
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
CID 172659463
3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide (CID 172672931) is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide is Cc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is IUDAJSICNKUCIW-DFQSSKMNSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-6-9-26(10-7-15-13-24-18-5-3-2-4-16(15)18)23(28)21(14)22(27)25-19-12-20-17(19)8-11-29-20/h2-6,9,13,17,19-20,24H,7-8,10-12H2,1H3,(H,25,27)/t17-,19+,20+/m0/s1.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide?
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172672931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).