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

C19H22N6O3 — CID 155502448

IUPACN-[[(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
SMILESCOc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cnccn4)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C19H22N6O3/c1-27-16-3-5-22-18(24-16)25-10-13-12(15-2-4-19(13,11-25)28-15)8-23-17(26)14-9-20-6-7-21-14/h3,5-7,9,12-13,15H,2,4,8,10-11H2,1H3,(H,23,26)/t12-,13+,15+,19+/m0/s1
InChIKeyDZIPQZRRXAHRAP-FAYLSGKYSA-N
MW382.42 g/mol
LogP0.69
Rot. Bonds5

About 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

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 (PubChem CID 155502448) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID155502448
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[[(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
SMILESCOc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cnccn4)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C19H22N6O3/c1-27-16-3-5-22-18(24-16)25-10-13-12(15-2-4-19(13,11-25)28-15)8-23-17(26)14-9-20-6-7-21-14/h3,5-7,9,12-13,15H,2,4,8,10-11H2,1H3,(H,23,26)/t12-,13+,15+,19+/m0/s1
InChIKeyDZIPQZRRXAHRAP-FAYLSGKYSA-N
XLogP0.69
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-(4-aminopyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 135092398
N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
CID 155501699
N-[[(1S,5S,6R,7R)-3-(5-ethylpyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155508406
4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155916553
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
6-methyl-N-[[(1S,5S,6R,7R)-3-(2-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155500538
N-[[(1S,5S,6R,7R)-3-(2-methylpyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155509374
6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155912819
4-fluoro-2-methyl-N-[[(1S,5S,6R,7R)-3-pyrimidin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155500096
4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155501572
2,2-dimethyl-N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155504395
N-[[(1S,5S,6R,7R)-3-(5,6-dimethylpyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
CID 155498118

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cnccn4)[C@H]4CC[C@]3(C2)O4)n1.
What is the InChIKey of 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?
The InChIKey is DZIPQZRRXAHRAP-FAYLSGKYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-27-16-3-5-22-18(24-16)25-10-13-12(15-2-4-19(13,11-25)28-15)8-23-17(26)14-9-20-6-7-21-14/h3,5-7,9,12-13,15H,2,4,8,10-11H2,1H3,(H,23,26)/t12-,13+,15+,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 382.42 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).