N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide

C21H30N4O2 — CID 171150625

IUPACN-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
SMILESCCC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cnccn3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C21H30N4O2/c1-3-15(2)5-4-10-25-13-17-16(19-6-7-21(17,14-25)27-19)11-24-20(26)18-12-22-8-9-23-18/h5,8-9,12,16-17,19H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,26)/t16-,17+,19+,21+/m0/s1
InChIKeyJNRRQYVRIXOKSH-GMLUQMLDSA-N
MW370.50 g/mol
LogP2.43
Rot. Bonds7

About N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide

N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide (PubChem CID 171150625) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
PubChem CID171150625
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
SMILESCCC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cnccn3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C21H30N4O2/c1-3-15(2)5-4-10-25-13-17-16(19-6-7-21(17,14-25)27-19)11-24-20(26)18-12-22-8-9-23-18/h5,8-9,12,16-17,19H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,26)/t16-,17+,19+,21+/m0/s1
InChIKeyJNRRQYVRIXOKSH-GMLUQMLDSA-N
XLogP2.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-(4-methoxypyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
CID 155502448
3-methoxy-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155499617
2-(3-methyl-1,2-oxazol-5-yl)-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 154822456
N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-thiophen-2-ylacetamide
CID 155505351
5-methyl-N-[[(1S,5S,6R,7R)-3-(thiophen-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
CID 155492884
3-fluoro-N-[[(1S,5S,6R,7R)-3-(3-methylbutyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-4-carboxamide;formic acid
CID 155937894
3-acetamido-N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 154816301
N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 155501440
N-[[(1S,5S,6R,7R)-3-(2-pyridin-3-ylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155507160
4-methyl-N-[[(1S,5S,6R,7R)-3-[2-(1-methylimidazol-2-yl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155498850
N-[[(1S,5S,6R,7R)-3-[(5-chlorothiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155502892
N-[[(1S,5S,6R,7R)-3-[(E)-but-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 154821843

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide (CID 171150625) is N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide is CCC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cnccn3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is JNRRQYVRIXOKSH-GMLUQMLDSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-15(2)5-4-10-25-13-17-16(19-6-7-21(17,14-25)27-19)11-24-20(26)18-12-22-8-9-23-18/h5,8-9,12,16-17,19H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,26)/t16-,17+,19+,21+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide?
N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(4-methylhex-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 171150625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).