N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide

C18H20N4O2 — CID 125139843

IUPACN-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide
SMILESCOc1cncc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C18H20N4O2/c1-24-17-10-19-9-15(20-17)18(23)21-14-4-2-3-5-16(14)22-11-12-6-7-13(22)8-12/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyRTYLFVNZDCSDNV-STQMWFEESA-N
MW324.38 g/mol
LogP2.73
Rot. Bonds4

About N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide

N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide (PubChem CID 125139843) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide
PubChem CID125139843
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide
SMILESCOc1cncc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C18H20N4O2/c1-24-17-10-19-9-15(20-17)18(23)21-14-4-2-3-5-16(14)22-11-12-6-7-13(22)8-12/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyRTYLFVNZDCSDNV-STQMWFEESA-N
XLogP2.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide with MolForge

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Related Compounds

[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea
CID 122139589
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
1-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(3,6-dihydro-2H-pyran-5-ylmethyl)urea
CID 125143000
N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
CID 57327084
N-(2-methylphenyl)-6-piperidin-4-ylpyrazine-2-carboxamide
CID 95825784
methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
CID 133269783
3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone
CID 146602419
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone
CID 61224051
6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide
CID 59569238
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109197827
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide (CID 125139843) is N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide is COc1cncc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)n1.
What is the InChIKey of N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide?
The InChIKey is RTYLFVNZDCSDNV-STQMWFEESA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-17-10-19-9-15(20-17)18(23)21-14-4-2-3-5-16(14)22-11-12-6-7-13(22)8-12/h2-5,9-10,12-13H,6-8,11H2,1H3,(H,21,23)/t12-,13-/m0/s1.
What are the key properties of N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide?
N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]-6-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 125139843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).