N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide

C22H25N3O3 — CID 155508889

IUPACN-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(C(=O)C3CC3)C[C@]23CC[C@H]1O3)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H25N3O3/c26-20(18-9-14-3-1-2-4-17(14)24-18)23-10-15-16-11-25(21(27)13-5-6-13)12-22(16)8-7-19(15)28-22/h1-4,9,13,15-16,19,24H,5-8,10-12H2,(H,23,26)/t15-,16+,19+,22+/m0/s1
InChIKeyZRVBJKKABULTIC-XKIVJUNCSA-N
MW379.46 g/mol
LogP2.31
Rot. Bonds4

About N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide

N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 155508889) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide
PubChem CID155508889
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@H]1[C@H]2CN(C(=O)C3CC3)C[C@]23CC[C@H]1O3)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H25N3O3/c26-20(18-9-14-3-1-2-4-17(14)24-18)23-10-15-16-11-25(21(27)13-5-6-13)12-22(16)8-7-19(15)28-22/h1-4,9,13,15-16,19,24H,5-8,10-12H2,(H,23,26)/t15-,16+,19+,22+/m0/s1
InChIKeyZRVBJKKABULTIC-XKIVJUNCSA-N
XLogP2.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

(1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155508425
N-[[(1S,5S,6R,7R)-3-[3-(1H-benzimidazol-2-yl)propanoyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide;formic acid
CID 171338743
N-[[(1S,5S,6R,7R)-3-(cyclopent-3-ene-1-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methylpyrazine-2-carboxamide;formic acid
CID 171338650
5-fluoro-2-methyl-N-[[(1S,5S,6R,7R)-3-propanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155492898
2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155504936
N-[[(1S,5S,6R,7R)-3-(3,6-dimethylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155491463
N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
CID 155498772
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155505641
N-[[(1S,5S,6R,7R)-3-(1-methylcyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenyl)acetamide
CID 155510144
N-[[(1S,5S,6R,7R)-3-(2-hydroxyacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-propylbenzamide
CID 155495855
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
1-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(6-oxo-1H-pyridine-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide
CID 135090808

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide (CID 155508889) is N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide is O=C(NC[C@H]1[C@H]2CN(C(=O)C3CC3)C[C@]23CC[C@H]1O3)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ZRVBJKKABULTIC-XKIVJUNCSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(18-9-14-3-1-2-4-17(14)24-18)23-10-15-16-11-25(21(27)13-5-6-13)12-22(16)8-7-19(15)28-22/h1-4,9,13,15-16,19,24H,5-8,10-12H2,(H,23,26)/t15-,16+,19+,22+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide?
N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155508889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).